I. Abrikosov

发表

Nonequilibrium ab initio molecular dynamics determination of Ti monovacancy migration rates in B1 TiN

D. Gambino, D. Sangiovanni, B. Alling, 2017 .

Interface between quantum-mechanical-based approaches, experiments, and CALPHAD methodology

M. Ohno, A. Pisch, I. Abrikosov, 2007 .

Questionable collapse of the bulk modulus in CrN.

B. Alling, I. Abrikosov, T. Marten, 2010, Nature materials.

Calculated magnetic properties of binary alloys between Fe, Co, Ni, and Cu

B. Johansson, O. Eriksson, I. Abrikosov, 1999 .

The most incompressible metal osmium at static pressures above 750 gigapascals

M. Katsnelson, J. Wills, L. Dubrovinsky, 2015, Nature.

Pressure and temperature dependence of the zero-field splitting in the ground state of NV centers in diamond: A first-principles study

J. Maze, Á. Gali, I. Abrikosov, 2014 .

Comparison of thermodynamic properties of cubic Cr1−xAlxN and Ti1−xAlxN from first-principles calculations

B. Alling, I. Abrikosov, T. Marten, 2007 .

Ab initio formation energies of Fe-Cr alloys

J. Wallenius, I. Abrikosov, P. Olsson, 2003 .

Identification of Si-vacancy related room-temperature qubits in 4 H silicon carbide

N. T. Son, T. Ohshima, Á. Gali, 2017, 1708.06259.

Lattice dynamics of anharmonic solids from first principles

S. I. Simak, I. A. Abrikosov, I. Abrikosov, 2011, 1103.5590.

Electrically and mechanically tunable electron spins in silicon carbide color centers.

D. Awschalom, Á. Gali, P. Klimov, 2013, Physical review letters.

High-Fidelity Bidirectional Nuclear Qubit Initialization in SiC.

D. Awschalom, D. J. Christle, Á. Gali, 2016, Physical review letters.

Wave function extended Lagrangian Born-Oppenheimer molecular dynamics

Anders M. N. Niklasson, Igor A. Abrikosov, Peter Steneteg, 2010 .

First principles calculation of spin-related quantities for point defect qubit research

Á. Gali, I. Abrikosov, V. Ivády, 2018, npj Computational Materials.

Efficient prediction of elastic properties of Ti0.5Al0.5N at elevated temperature using machine learning interatomic potential

A. Shapeev, I. Abrikosov, F. Tasnádi, 2021, Thin Solid Films.

Superhard semiconducting optically transparent high pressure phase of boron.

L. Dubrovinsky, Y. Filinchuk, V. Prakapenka, 2009, Physical review letters.

Ab initio calculations and synthesis of the off-stoichiometric half-Heusler phase Ni1−xMn1+xSb

B. Alling, I. Abrikosov, U. Helmersson, 2010 .

Role of stoichiometric and nonstoichiometric defects on the magnetic properties of the half-metallic ferromagnet NiMnSb

B. Alling, I. Abrikosov, S. Shallcross, 2006 .

Significant elastic anisotropy in Ti{sub 1-x}Al{sub x}N alloys

M. Odén, J. Almer, I. Abrikosov, 2010, 1010.3678.

First principles predictions of magneto-optical data for semiconductor point defect identification: the case of divacancy defects in 4H–SiC

N. T. Son, R. Armiento, Á. Gali, 2017, 1708.04508.

Elastic constants and anisotropy in FeNi alloys at high pressures from first-principles calculations

I. Abrikosov, L. Vitos, C. Asker, 2009 .

Pressure-induced hydrogen bond symmetrization in iron oxyhydroxide.

L. Dubrovinsky, V. Prakapenka, M. Hanfland, 2013, Physical review letters.

Modeling of CeO2, Ce2O3, and CeO2−x in the LDA+U formalism

B. Johansson, I. Abrikosov, D. Andersson, 2007 .

Exchange Interactions in Paramagnetic Amorphous and Disordered Crystalline CrN-based Systems

Alexander Hans Gustav Lindmaa, B. Alling, I. Abrikosov, 2013, 1306.3107.

Magnetism in systems with reduced dimensionality and chemical disorder: The local environment effects

F. Liot, I. Abrikosov, T. Marten, 2006 .

Variation of the effective exchange parameter across 3d-transition-metal series

I. Abrikosov, W. Olovsson, 2005 .

Stabilization of point-defect spin qubits by quantum wells

N. T. Son, M. Holt, D. Awschalom, 2019, Nature Communications.

Topology-guided analysis and visualization of charge density fields

I. Abrikosov, P. Steneteg, 2019 .

Thermal expansion of quaternary nitride coatings

M. Odén, I. Abrikosov, F. Tasnádi, 2018, Journal of physics. Condensed matter : an Institute of Physics journal.

Descriptor for slip-induced crack-blunting in refractory ceramics

M. Odén, M. Mrovec, D. Sangiovanni, 2022, 2203.00622.

Dislocation core structures in titanium nitride

R. Boyd, M. Mrovec, D. Sangiovanni, 2022 .

Electronic and optical properties of crystalline nitrogen versus black phosphorus: A comparative first-principles study

M. Katsnelson, I. Abrikosov, M. van Schilfgaarde, 2022, Physical Review B.

Exhaustive characterization of Si vacancy complex in 4H-SiC

I. Ivanov, R. Armiento, I. Abrikosov, 2022, 2205.12575.

Electron-electron scattering and thermal conductivity of epsilon-iron at Earths core conditions

A. Georges, I. Abrikosov, L. Pourovskii, 2016, 1603.02287.

Effect of multicomponent alloying with Ni, Mn and Mo on phase stability of bcc Fe-Cr alloys

A. Ruban, I. Abrikosov, A. Ponomareva, 2018 .

Multiscale approach to theoretical simulations of materials for nuclear energy applications : Fe-Cr and Zr-based alloys

A. Ruban, I. Abrikosov, S. Barannikova, 2013 .

Highly Efficient Free Energy Calculations of the Fe Equation of State Using Temperature-Dependent Effective Potential Method

I. Abrikosov, O. Hellman, S. Simak, 2016, The journal of physical chemistry. A.

High-pressure synthesis of ultraincompressible hard rhenium nitride pernitride Re2(N2)(N)2 stable at ambient conditions

W. Schnick, L. Dubrovinsky, V. Prakapenka, 2019, Nature Communications.

Effect of alloying on elastic properties of ternary Ni-Al-Ti system: Experimental validation

S. Rouvimov, A. Mukasyan, I. Abrikosov, 2016 .

Configurational thermodynamics of Fe-Ni alloys at Earth's core conditions

B. Johansson, I. Abrikosov, M. Ekholm, 2011 .

Impact of electronic correlations on the equation of state and transport in -Fe

I. Abrikosov, O. Parcollet, L. Pourovskii, 2020 .

Lead‐Free Halide Double Perovskite Cs2AgBiBr6 with Decreased Band Gap

F. Gao, Licheng Sun, M. Etter, 2020, Angewandte Chemie.

Thermodynamics of ordered and disordered phases in the binary Mo-Ru system

O. Grånäs, A. Ruban, I. Abrikosov, 2007 .

Core level shift in random CuPd and AgPd alloys by the complete screening picture

B. Johansson, I. Abrikosov, W. Olovsson, 2002 .

Self-assembly of two-dimensional binary quasicrystals: a possible route to a DNA quasicrystal

B. Ashcroft, B. Alling, I. Abrikosov, 2016 .

Variation of oxygen oxidation state at the base of Earth's lower mantle

L. Dubrovinsky, J. Rouquette, J. Haines, 2019, 1905.05497.

Ab initio calculations of elastic properties of Ru1−xNixAl superalloys

B. Johansson, M. Katsnelson, Y. Vekilov, 2009 .

Phase stability of Ti2AlC upon oxygen incorporation: A first-principles investigation

I. Abrikosov, J. Rosen, M. Dahlqvist, 2010 .

Static ionic displacements in Fe–Ni alloys from first principles

F. Liot, I. Abrikosov, S. Simak, 2006 .

High-pressure form of elemental boron is covalent

L. Dubrovinsky, Y. Filinchuk, I. Abrikosov, 2009, 0907.1900.

Noblest of all metals is structurally unstable at high pressure.

R. Ahuja, B. Johansson, L. Dubrovinsky, 2007, Physical review letters.

Synthesis of Ti3AuC2, Ti3Au2C2 and Ti3IrC2 by noble metal substitution reaction in Ti3SiC2 for high-temperature-stable Ohmic contacts to SiC.

M. Andersson, H. Fashandi, Jun Lu, 2017, Nature materials.

Single-monolayer SiNx embedded in TiN : A first-principles study

L. Hultman, B. Alling, I. Abrikosov, 2010 .

Electron–electron scattering and thermal conductivity of ϵ-iron at Earth’s core conditions

I. Abrikosov, L. Pourovskii, S. Simak, 2016, 1603.02287.

Isotope-Purification-Induced Reduction of Spin-Relaxation and Spin-Coherence Times in Semiconductors

N. T. Son, I. Abrikosov, Oscar Bulancea-Lindvall, 2022, Physical Review Applied.

Ab Initio Theory of Si-Vacancy Quantum Bits in 4H and 6H-SiC

N. T. Son, T. Ohshima, Á. Gali, 2018, Materials Science Forum.

Exhaustive characterization of modified Si vacancies in 4H-SiC

I. Ivanov, R. Armiento, I. Abrikosov, 2022, Nanophotonics.

Charge neutrality in epitaxial graphene on 6 H -SiC(0001) via nitrogen intercalation

R. Yakimova, R. Armiento, I. Abrikosov, 2015 .

Electronic structure, thermodynamic and thermal properties of Ni-Al disordered alloys from LMTO-CPA-DFT calculations

A. Ruban, I. Abrikosov, D. Kats, 1993 .

Applicability of the coherent-potential approximation in the theory of random alloys

B. Johansson, I. Abrikosov, 1998 .

Synthesis of Ultra-Incompressible Carbon Nitrides Featuring Three-Dimensional Frameworks of CN4 Tetrahedra Recoverable at Ambient Conditions

L. Dubrovinsky, M. Mezouar, I. Abrikosov, 2022, 2209.01968.

Novel Class of Rhenium Borides Based on Hexagonal Boron Networks Interconnected by Short B2 Dumbbells

S. V. Ovsyannikov, L. Dubrovinsky, V. Prakapenka, 2022, Chemistry of materials : a publication of the American Chemical Society.

High-pressure synthesis of seven lanthanum hydrides with a significant variability of hydrogen content

L. Dubrovinsky, I. Abrikosov, V. Milman, 2022, Nature Communications.

Effects of O and N impurities on the nanostructural evolution during growth of Cr/Sc multilayers

E. Gullikson, F. Eriksson, L. Hultman, 2009 .

Ab initio calculations of elastic properties of alloys with mechanical instability: Application to BCC Ti-V alloys

I. Abrikosov, N. Skripnyak, A. Ponomareva, 2018 .

Materials synthesis at terapascal static pressures

L. Dubrovinsky, I. Abrikosov, S. Khandarkhaeva, 2022, Nature.

Ab initio elastic tensor of cubic Ti 0.5 Al 0.5 N alloys: Dependence of elastic constants on size and shape of the supercell model and their convergence

M. Odén, I. Abrikosov, F. Tasnádi, 2011, 1111.0548.

Surface segregation of transition metal impurities on the TiC(1 0 0) surface

O. Eriksson, U. Jansson, I. Abrikosov, 2005 .

Energy-Surfaces from the Upper Bound of the Pauli Kinetic Energy

I. Abrikosov, J. Davidsson, K. Finzel, 2016 .

Magnetic interactions in NiO at ultrahigh pressure

H. Ebert, L. Dubrovinsky, V. Prakapenka, 2016 .

Spinodal decomposition in ternary Fe-Cr-Co system

I. Abrikosov, A. Ponomareva, B. Mukhamedov, 2017 .

Exhaustive characterization of modified Si vacancies in 4H-SiC

I. Ivanov, R. Armiento, I. Abrikosov, 2022, Nanophotonics.

Bulk ordering and surface segregation in Ni50Pt50

B. Johansson, A. Ruban, Y. Vekilov, 2001 .

Effect of Re content on elastic properties of B2 NiAl from ab initio calculations

Y. Vekilov, I. Abrikosov, A. Ponomareva, 2014 .

Theoretical Modeling of Thermodynamic and Mechanical Properties of the Pure Components of Ti and Zr Based Alloys Using the Exact Muffin-Tin Orbitals Method

I. Abrikosov, S. Barannikova, A. Dmitriev, 2014, Russian Physics Journal.

Surface magnetism of vanadium-based binary alloys : first principles investigations

B. Johansson, Y. Vekilov, I. Abrikosov, 2003 .

Surface energies and work functions of the transition metal carbides

O. Eriksson, A. Ruban, U. Jansson, 2004 .

Modeling the actinides with disordered local moments

B. Johansson, M. Katsnelson, A. Niklasson, 2002, cond-mat/0209411.

Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics

B. Grabowski, F. Körmann, A. Glensk, 2016 .

HADB: A materials-property database for hard-coating alloys

R. Armiento, D. Sangiovanni, I. Abrikosov, 2022, Thin Solid Films.

Electronic structure investigation of the cubic inverse perovskite Sc3AlN

L. Hultman, I. Abrikosov, J. Birch, 2008, 1112.2697.

First-principles calculations of the vacancy formation energy in transition and noble metals

Börje Johansson, Igor A. Abrikosov, Pavel A. Korzhavyi, 1999 .

High‐Pressure Synthesis of Metal–Inorganic Frameworks Hf 4 N 20 ⋅N 2 , WN 8 ⋅N 2 , and Os 5 N 28 ⋅3 N 2 with Polymeric Nitrogen Linkers

L. Dubrovinsky, M. Hanfland, H. Liermann, 2020, Angewandte Chemie.

High‐Pressure Synthesis of Metal–Inorganic Frameworks Hf4N20⋅N2, WN8⋅N2, and Os5N28⋅3 N2 with Polymeric Nitrogen Linkers

L. Dubrovinsky, V. Prakapenka, M. Hanfland, 2020, Angewandte Chemie.

First-principles investigation of thermal point defects in B2 NiAl

Y. Vekilov, I. Abrikosov, P. Korzhavyi, 1999 .

Configurational thermodynamics of alloys from first principles: effective cluster interactions

Igor A. Abrikosov, Andrei V. Ruban, A. Ruban, 2008 .

Dynamic stability of palladium hydride: An ab initio study

I. Abrikosov, S. Eremeev, L. Isaeva, 2011 .

Börje Johansson, Igor A. Abrikosov, Rajeev Ahuja, 2007 .

Ab-initio modeling and experimental investigation of properties of ultra-high temperature solid solutions TaxZr1-xC

E. Levashov, A. Khvan, I. Abrikosov, 2019, Journal of Alloys and Compounds.

Origin of the Invar effect in iron–nickel alloys

B. Johansson, Mark van Schilfgaarde, I. A. Abrikosov, 1999, Nature.

High Pressure Investigation of the S-N2 System up to the Megabar Range: Synthesis and Characterization of the SN2 Solid.

L. Dubrovinsky, I. Abrikosov, T. Fedotenko, 2019, Inorganic chemistry.

Hydrogen in palladium: Anharmonicity of lattice dynamics from first principles

Y. Vekilov, I. Abrikosov, M. Belov, 2015 .

First-principles study of vacancy-hydrogen interaction in Pd

I. Abrikosov, S. Simak, O. Vekilova, 2009 .

On the interaction of toxic Heavy Metals (Cd, Hg, Pb) with graphene quantum dots and infinite graphene

R. Yakimova, V. Khranovskyy, I. Abrikosov, 2017, Scientific Reports.

Modelling the thermodynamic data for hcp Zn and Cu–Zn alloys– an ab initio and calphad approach

A. Khvan, A. Dinsdale, I. Abrikosov, 2021 .

High-Pressure Synthesis of a Nitrogen-Rich Inclusion Compound ReN8 ⋅x N2 with Conjugated Polymeric Nitrogen Chains

L. Dubrovinsky, H. Liermann, I. Abrikosov, 2018, Angewandte Chemie.

High-Pressure Synthesis of a Nitrogen-Rich Inclusion Compound ReN8 ⋅x N2 with Conjugated Polymeric Nitrogen Chains.

L. Dubrovinsky, H. Liermann, I. Abrikosov, 2018, Angewandte Chemie.

Assessing the SCAN functional for itinerant electron ferromagnets

I. A. Abrikosov, H. Jónsson, D. Gambino, 2018, Physical Review B.

Penta- and hexa-coordinated beryllium and phosphorus in high-pressure modifications of CaBe2P2O8

L. Dubrovinsky, I. Abrikosov, M. Bykov, 2019, Nature Communications.

Near‐Infrared Light‐Responsive Cu‐Doped Cs2AgBiBr6

I. Buyanova, Weimin M. Chen, J. Brus, 2020, Advanced Functional Materials.

Quantum origin of the oxygen storage capability of ceria.

B. Lundqvist, B. Johansson, I. Abrikosov, 2002, Physical review letters.

Cerium oxide nanoparticles with antioxidant capabilities and gadolinium integration for MRI contrast enhancement

K. Uvdal, Xuanjun Zhang, R. Boyd, 2018, Scientific Reports.

Nonlinear elasticity of ɛ -Fe: The pressure effect

O. M. Krasilnikov, Y. Vekilov, I. Abrikosov, 2019, Physical Review B.

Site preference and effect of alloying on elastic properties of ternary B2 NiAl-based alloys

Y. Vekilov, I. Abrikosov, A. Ponomareva, 2012 .

Temperature-dependent elastic properties of binary and multicomponent high-entropy refractory carbides

Tyler J. Harrington, K. Vecchio, D. Sangiovanni, 2020, Materials & Design.

Magnetic and electronic structure of (Ga1-xMnx)As

O. Eriksson, L. Nordström, P. Svedlindh, 2003 .

Beating the Miscibility Barrier between Iron Group Elements and Magnesium by High-Pressure Alloying

R. Ahuja, B. Johansson, G. Shen, 2005 .

Improving thermal stability of hard coating films via a concept of multicomponent alloying

M. Odén, B. Alling, I. Abrikosov, 2011 .

Emergence of quantum critical charge and spin-state fluctuations near the pressure-induced Mott transition in MnO, FeO, CoO, and NiO

V. Anisimov, A. Shorikov, I. Abrikosov, 2020, Physical Review B.

Competition between Magnetic Structures in the Fe-Rich FCC FeNi Alloys

A. Ruban, F. Liot, B. Alling, 2007 .

Mott transition and magnetic collapse in iron-bearing compounds under high pressure

I. Abrikosov, E. Greenberg, G. Rozenberg, 2017 .

Recent progress in simulations of the paramagnetic state of magnetic materials

Svetlana A. Barannikova, Igor A. Abrikosov, Peter Steneteg, 2016 .

Electronic properties and magnetism of iron at the Earth's inner core conditions

A. Ruban, L. Dubrovinsky, T. Miyake, 2012, 1204.3954.

Structural and magnetic ground-state properties of gamma-FeMn alloys from ab initio calculations

I. Abrikosov, M. Ekholm, 2011 .

Pressure-induced Invar effect in Fe-Ni alloys.

M. Schilfgaarde, L. Dubrovinsky, I. Abrikosov, 2001, Physical review letters.

High temperature thermodynamics of spinodal decomposition in arc deposited TixNbyAlzN coatings

M. Odén, I. Abrikosov, L. Rogström, 2018, Materials & Design.

Origin of magnetic frustrations in Fe-Ni Invar alloys

M. Katsnelson, A. Ruban, I. Abrikosov, 2005 .

Elastic properties and electrostructural correlations in ternary scandium-based cubic inverse perovskites : A first-principles study

L. Hultman, C. Höglund, I. Abrikosov, 2009 .

Pressure-Induced Site-Selective Mott Insulator-Metal Transition in Fe2O3

R. Jeanloz, L. Dubrovinsky, I. Abrikosov, 2017, Physical Review X.

Constitutional and thermal point defects in B2 NiAl

Börje Johansson, Igor A. Abrikosov, Andrei V. Ruban, 2000 .

Electronic, bonding, and optical properties of CeO 2 and Ce 2 O 3 from first principles

Börje Johansson, Igor A. Abrikosov, Natalia V. Skorodumova, 2001 .

Predicting properties of hard-coating alloys using ab-initio and machine learning methods

R. Armiento, D. Sangiovanni, I. Abrikosov, 2021, 2111.01111.

Theoretical study of CeO2 doped with tetravalent ions

B. Johansson, I. Abrikosov, D. Andersson, 2007 .

Absence of a pressure-induced structural phase transition in Ti3Al up to 25 GPa - art. no. 024106

Dmitriev, R. Ahuja, O. Eriksson, 2000 .

Thermodynamic and physical properties of Zr3Fe and ZrFe2 intermetallic compounds

I. Saenko, I. Abrikosov, M. .. Kriegel, 2019, Intermetallics.

Anisotropic lattice distortions in random alloys from first-principles theory.

B. Johansson, I. Abrikosov, B. Johansson, 2001, Physical review letters.

Supplementary information for Synthesis of Ti 3 AuC 2 , Ti 3 Au 2 C 2 and Ti 3 IrC 2 by noble-metal substitution reaction in Ti 3 SiC 2 for high-temperature-stable ohmic contacts to SiC

Anita, M. Andersson, H. Fashandi, 2017 .

Influence of chemical composition and magnetic effects on the elastic properties of fcc Fe–Mn alloys

J. Schneider, R. Dronskowski, J. Mayer, 2011 .

Magnetic self-organized atomic laminate from first principles and thin film synthesis.

S. Ólafsson, B. Alling, I. Abrikosov, 2013, Physical review letters.

Correlation strength, orbital-selective incoherence, and local moments formation in the magnetic MAX-phase Mn2GaC

I. Abrikosov, M. Ekholm, M. Dahlqvist, 2022, Physical Review B.

Magnetic nanoscale laminates with tunable exchange coupling from first principles

B. Alling, I. Abrikosov, J. Rosen, 2011 .

A Nanolaminated Magnetic Phase: Mn2GaC

L. Hultman, B. Alling, I. Abrikosov, 2014 .

Electronic topological transitions and phase stability in the fcc Al-Zn alloys

B. Johansson, Y. Vekilov, I. Abrikosov, 2002 .

Theoretical and experimental evidence of a site-selective Mott transition in Fe2O3 under pressure

R. Jeanloz, L. Dubrovinsky, I. Abrikosov, 2017, 1706.02787.

Calculated Phase Diagram for the γ ⇌ α Transition in Ce

Igor A. Abrikosov, Andrei V. Ruban, B. Johansson, 1995 .

Dirac points with giant spin-orbit splitting in the electronic structure of two-dimensional transition-metal carbides

A. Spetz, M. Katsnelson, H. Fashandi, 2015, 1506.05398.

Ab initio calculation of the solution enthalpies of substitutional and interstitial impurities in paramagnetic fcc Fe

I. Abrikosov, Y. Gornostyrev, A. Ponomareva, 2014 .

Anomalous epitaxial stability of (001) interfaces in ZrN/SiNx multilayers

M. Odén, I. Abrikosov, N. Ghafoor, 2014 .

Locally self-consistent Green's function approach to the electronic structure problem

Igor A. Abrikosov, Andrei V. Ruban, B. Johansson, 1997 .

Local magnetovolume effects in Fe 65 Ni 35 alloys

F. Liot, I. Abrikosov, 2009 .

Application of O(N) LSGF method for calculation of systems with non-collinear magnetic configurations

B. Johansson, I. Abrikosov, 1998 .

Ab initio electronic structure calculations of correlated systems: An EMTO-DMFT approach

A. I. Lichtenstein, M. I. Katsnelson, I. A. Abrikosov, 2003, cond-mat/0309304.

THEORETICAL INVESTIGATION OF SULFUR SOLUBILITY IN PURE COPPER AND DILUTE COPPER-BASED ALLOYS

B. Johansson, I. Abrikosov, P. Korzhavyi, 1999 .

High-resolution STEM investigation of the role of dislocations during decomposition of Ti1-xAlxNy

D. Sangiovanni, I. Abrikosov, L. Rogström, 2023, Scripta Materialia.

Non-equilibrium vacancy formation energies in metastable alloys - A case study of Ti0.5Al0.5N

M. Odén, I. Abrikosov, F. Tasnádi, 2017 .

High temperature phase decomposition in TixZryAlzN

M. Odén, I. Abrikosov, L. Rogström, 2014 .

High pressure and high temperature stabilization of cubic AlN in Ti0.60Al0.40N

L. Dubrovinsky, M. Odén, N. Norrby, 2013 .

Phase Stability and Elasticity of TiAlN

M. Odén, L. Hultman, B. Alling, 2011, Materials.

Pressure enhancement of the isostructural cubic decomposition in Ti1−xAlxN

M. Odén, L. Hultman, B. Alling, 2009 .

Mixing and decomposition thermodynamics of c-Ti1-xAlxN from first-principles calculations

A. Ruban, L. Hultman, B. Alling, 2007 .

Strength, transformation toughening, and fracture dynamics of rocksalt-structure Ti1−xAlxN(0≤x≤0.75) alloys

M. Odén, D. Sangiovanni, I. Abrikosov, 2019, Physical Review Materials.

Influence of stresses on structure and properties of Ti and Zr- based alloys from first-principles simulations

I. Abrikosov, A. Dmitriev, S. Barannikova, 2015 .

Theoretical description of pressure-induced phase transitions: a case study of Ti–V alloys†

I. Abrikosov, S. Barannikova, A. Dmitriev, 2015 .

The Application of Method of Exact MT-orbitals for Modelling of Thermodynamic and Mechanical Properties in Pure Components of Ti- and Zr-Based Alloys

I. Abrikosov, S. Barannikova, A. Dmitriev, 2013 .

Systematic theoretical search for alloys with increased thermal stability for advanced hard coatings applications

I. Abrikosov, F. Tasnádi, H. Lind, 2013 .

Electronic origin of the isostructural decomposition in cubic M1−xAlxN (M=Ti, Cr, Sc, Hf): A first-principles study

B. Alling, I. Abrikosov, A. Karimi, 2008 .

First-principles study of the effect of nitrogen vacancies on the decomposition pattern in cubic Ti1-xAlxN1-y

L. Hultman, B. Alling, I. Abrikosov, 2008 .

Systematic ab initio investigation of the elastic modulus in quaternary transition metal nitride alloys and their coherent multilayers

Fei Wang, F. Mücklich, M. Odén, 2017 .

Elucidating dislocation core structures in titanium nitride through high-resolution imaging and atomistic simulations

R. Boyd, M. Odén, M. Mrovec, 2022, Materials & Design.

Temperature-dependent elastic properties of Ti1−xAlxN alloys

M. Odén, I. Abrikosov, L. Rogström, 2015 .

Thermodynamic and electronic properties of ReN2 polymorphs at high pressure

L. Dubrovinsky, I. Abrikosov, S. Khandarkhaeva, 2021, Physical Review B.

Design of Materials for Nuclear Energy Applications: First-Principles Calculations and Artificial Intelligence Methods

I. Abrikosov, E. Son, A. Khvan, 2020, High Temperature.

First principle calculations of core-level binding energy and Auger kinetic energy shifts in metallic solids

B. Johansson, E. Holmström, I. Abrikosov, 2010 .

Multiple π-bands and Bernal stacking of multilayer graphene on C-face SiC, revealed by nano-Angle Resolved Photoemission

R. Armiento, J. Avila, M. Asensio, 2014, Scientific Reports.

Theoretical Modeling of Thermodynamic and Mechanical Properties of the Pure Components of Ti and Zr Based Alloys Using the Exact Muffin-Tin Orbitals Method

I. Abrikosov, S. Barannikova, A. Dmitriev, 2014 .

Temperature dependence of the Kohn anomaly in bcc Nb from first-principles self-consistent phonon calculations

I. Abrikosov, O. Hellman, S. Simak, 2020 .

Achieving low elastic moduli of bcc Ti–V alloys in vicinity of mechanical instability

U. Jansson, I. Abrikosov, P. Berastegui, 2020 .

Atomistic description of self-diffusion in molybdenum: A comparative theoretical study of non-Arrhenius behavior

Grisell Díaz Leines, R. Drautz, Yanyan Liang, 2020 .

Superioniclike Diffusion in an Elemental Crystal: bcc Titanium.

D. Smirnova, D. Smirnova, M. Mrovec, 2019, Physical review letters.

Thermodynamic properties of tin: Part I Experimental investigation, ab-initio modelling of α-, β-phase and a thermodynamic description for pure metal in solid and liquid state from 0 K

A. Khvan, A. Dinsdale, I. Abrikosov, 2019, Calphad.

A critical test of ab initio and CALPHAD methods : The structural energy difference between bcc and hcp molybdenum

I. Abrikosov, S. Shallcross, L. Kaufman, 2005 .

Elinvar effect in β-Ti simulated by on-the-fly trained moment tensor potential

A. Shapeev, Konstantin Gubaev, E. Podryabinkin, 2020, New Journal of Physics.

Body-Centered Cubic Iron-Nickel Alloy in Earth's Core

B. Johansson, L. Vitos, L. Dubrovinsky, 2007, Science.

Theoretical study of the Mo-Ru sigma-phase

O. Grånäs, I. Abrikosov, P. Korzhavyi, 2008 .

Nitrogen vacancy, self-interstitial diffusion, and Frenkel-pair formation/dissociation in B1 TiN studied by ab initio and classical molecular dynamics with optimized potentials

L. Hultman, D. Sangiovanni, B. Alling, 2015 .

Locally Self-Consistent Green's Function Method and Its Application in the Theory of Random Alloys

B. Johansson, I. Abrikosov, P. Korzhavyi, 1999 .

Equation of state and elastic properties of face-centered- cubic FeMg alloy at ultrahigh pressures from first-principles

L. Dubrovinsky, I. Abrikosov, C. Asker, 2009, 0910.5854.

Ab initio calculations of pressure-dependence of high-order elastic constants using finite deformations approach

Igor A. Abrikosov, A. V. Lugovskoy, Sergey Simak, 2017, Comput. Phys. Commun..

Relationship between the electronic structure of embedded single to triple atomic monolayers and bulk alloys

E. Holmström, A. Niklasson, J. Wills, 2005 .

Including the effects of pressure and stress in thermodynamic functions

L. Höglund, M. Jacobs, D. Alfé, 2014 .

Development of an EAM potential for simulation of radiation damage in Fe-Cr alloys

Janne Wallenius, Lorenzo Malerba, Christina Lagerstedt, 2004 .

Temperature dependence of TiN elastic constants from ab initio molecular dynamics simulations

I. Abrikosov, O. Hellman, P. Steneteg, 2013 .

Elastic properties of fcc Fe–Mn–X (X = Al, Si) alloys studied by theory and experiment

J. Schneider, D. Music, I. Abrikosov, 2011 .

Origin of the core-level binding energy shifts in Au nanoclusters

I. Abrikosov, A. Tal, W. Olovsson, 2017, 1703.05067.

Core-level shifts in fcc random alloys: A first-principles approach

B. Johansson, I. Abrikosov, L. Pourovskii, 2005 .

First-principles study of dislocations in hcp metals through the investigation of the (1121) twin boundary

M. Barsoum, L. Hultman, I. Abrikosov, 2011 .

Temperature dependent effective potential method for accurate free energy calculations of solids

Igor A. Abrikosov, Peter Steneteg, I. Abrikosov, 2013, 1303.1145.

First-principles solution to the problem of Mo lattice stability

I. Abrikosov, A. Belonoshko, C. Asker, 2008 .

Elastic properties of fcc Fe-Mn-X (X=Cr, Co, Ni, Cu) alloys from first-principles calculations

J. Schneider, D. Music, I. Abrikosov, 2013 .

Finite-temperature elastic constants of paramagnetic materials within the disordered local moment picture from ab initio molecular dynamics calculations

Elham Mozafari, Igor A. Abrikosov, Peter Steneteg, 2016, 1604.08855.

Lattice Vibrations Change the Solid Solubility of an Alloy at High Temperatures.

F. Mücklich, M. Odén, B. Alling, 2015, Physical review letters.

Dynamic stabilization of cubic AuZn

O. Eriksson, I. Abrikosov, J. Lashley, 2015 .

Effect of magnetic disorder and strong electron correlations on the thermodynamics of CrN

I. A. Abrikosov, B. Alling, I. Abrikosov, 2010, 1006.3460.

Efficient and accurate determination of lattice-vacancy diffusion coefficients via non equilibrium ab initio molecular dynamics

D. Sangiovanni, B. Alling, I. Abrikosov, 2015, 1509.04487.

Fe-N system at high pressure reveals a compound featuring polymeric nitrogen chains

L. Dubrovinsky, M. Mezouar, V. Prakapenka, 2018, Nature Communications.

Unifying interatomic potential, g ( r ), elasticity, viscosity

B. Alling, I. Abrikosov, N. Gnan, 2016 .

Cerium oxide nanoparticles with antioxidant capabilities and gadolinium integration for MRI contrast enhancement

K. Uvdal, Xuanjun Zhang, R. Boyd, 2018, Scientific Reports.

Hyperfine splitting and room-temperature ferromagnetism of Ni at multimegabar pressure.

H. Ebert, L. Dubrovinsky, I. Abrikosov, 2013, Physical review letters.

Special quasirandom structure method in application for advanced properties of alloys: A study on Ti 0.5 Al 0.5 N and TiN/Ti 0.5 Al 0.5 N multilayer

Fei Wang, M. Odén, I. Abrikosov, 2015 .

Influence of global magnetic state on chemical interactions in high-pressure high-temperature synthesis of B2 Fe2Si

A. Ruban, L. Dubrovinsky, I. Abrikosov, 2009 .

Significant correlation between macroscopic and microscopic parameters for the description of localized plastic flow auto-waves in deforming alloys

L. Zuev, Y. Vekilov, I. Abrikosov, 2012 .

Iron–silica interaction at extreme conditions and the electrically conducting layer at the base of Earth's mantle

B. Johansson, F. Langenhorst, L. Vitos, 2003, Nature.

Calculation of Mechanical Properties of BCC Ti-Nb Alloys

I. Abrikosov, S. Barannikova, A. Dmitriev, 2015 .

Machine learning prediction of thermodynamic and mechanical properties of multicomponent Fe-Cr-based alloys

I. Abrikosov, K. Karavaev, B. Mukhamedov, 2021, Physical Review Materials.

High-Pressure Synthesis of Dirac Materials: Layered van der Waals Bonded BeN_{4} Polymorph.

Talha Bin Masood, Jesse S. Smith, M. Katsnelson, 2020, Physical review letters.

Equation of state of paramagnetic CrN from ab initio molecular dynamics

B. Alling, I. Abrikosov, P. Steneteg, 2011, 1110.1331.

Enhanced stability of defect-based qubits in quantum wells

N. T. Son, D. Awschalom, Á. Gali, 2019 .

Double-segregation effect in AgxPd1-x/Ru(0001) thin film nanostructures

A. Ruban, I. Abrikosov, Zheshen Li, 2008 .

Local atomic configuration approach to the nonmonotonic concentration dependence of magnetic properties of Ni2Mn1+xZ1−x (Z = In,Sn,Sb) Heusler alloys

K. Załȩski, B. Alling, I. Abrikosov, 2021 .

Application of the Monte Carlo method to the problem of surface segregation simulation

A. Ruban, Y. Vekilov, I. Abrikosov, 2001 .

Effect of the lattice dynamics on the electronic structure of paramagnetic NiO within the disordered local moment picture

B. Alling, I. Abrikosov, M. Belov, 2018 .

Antisite-defect-induced surface segregation in ordered NiPt alloy.

A. Ruban, I. Abrikosov, B. Johansson, 2003, Physical review letters.

Ab initio studies of the energy characteristics and magnetic properties of point defects in GaAs

Y. Vekilov, I. Abrikosov, P. Korzhavyi, 2005 .

Charge disproportionation and site-selective local magnetic moments in the post-perovskite-type Fe2O3 under ultra-high pressures

I. Abrikosov, G. Rozenberg, I. Leonov, 2019, npj Computational Materials.

Theoretical modeling of interstitial carbon impurities in paramagnetic Fe-Mn alloys

I. Abrikosov, A. Ponomareva, B. Mukhamedov, 2020 .

Energy of interaction between carbon impurities in paramagnetic γ-iron

I. Abrikosov, Y. Gornostyrev, A. Ponomareva, 2015 .

Pure iron compressed and heated to extreme conditions.

L. Dubrovinsky, I. Abrikosov, B. Johansson, 2007, Physical review letters.

Magnetic collapse and the behavior of transition metal oxides at high pressure

A. Georges, I. Abrikosov, L. Pourovskii, 2016, 1607.08261.

Impact of electronic correlations on the equation of state and transport in epsilon-Fe

I. Abrikosov, O. Parcollet, L. Pourovskii, 2013, 1312.3654.

On the sharpness of the interfaces in metallic multilayers.

E. Holmström, O. Eriksson, L. Nordström, 2004, Proceedings of the National Academy of Sciences of the United States of America.

Role of N defects in paramagnetic CrN at finite temperatures from first principles

B. Alling, I. Abrikosov, P. Steneteg, 2014, 1410.5346.

Vibrational free energy and phase stability of paramagnetic and antiferromagnetic CrN from ab initio molecular dynamics

B. Alling, I. Abrikosov, O. Hellman, 2014, 1403.4766.

Strong electron correlations stabilize paramagnetic cubic Cr1-xAlxN solid solutions

L. Hultman, B. Alling, I. Abrikosov, 2013 .

Electronic origin of the anomalous stability of Fe-rich bcc Fe-Cr alloys

Janne Wallenius, Igor A. Abrikosov, Pär Olsson, 2006 .

Elastic properties of fcc Fe–Mn–X (X = Cr, Co, Ni, Cu) alloys studied by the combinatorial thin film approach and ab initio calculations

J. Schneider, D. Music, I. Abrikosov, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

The influence of additions of Al and Si on the lattice stability of fcc and hcp Fe–Mn random alloys

J. Schneider, A. Dick, J. Neugebauer, 2011, Journal of physics. Condensed matter : an Institute of Physics journal.

Ab initio lattice stability of fcc and hcp Fe–Mn random alloys

J. Schneider, B. Hallstedt, D. Music, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

Elastic properties of Fe–Mn random alloys studied by ab initio calculations

J. Schneider, D. Music, I. Abrikosov, 2007 .

Revealing the Complex Nature of Bonding in the Binary High-Pressure Compound FeO_{2}.

S. Clément, L. Dubrovinsky, J. Rouquette, 2020, Physical review letters.

Energetics and magnetic impact of 3d-metal doping of the half-metallic ferromagnet NiMnSb

B. Alling, I. Abrikosov, M. Ekholm, 2008 .

Topological transitions of the Fermi surface of osmium under pressure: an LDA+DMFT study

I. Abrikosov, M. Ekholm, Q. Feng, 2017 .

Quantum sensor in a single layer van der Waals material

Á. Gali, I. Abrikosov, Gergely Barcza, 2021, 2111.09589.

Exchange coupling in Fe/(Mo1-x Re x ) n /Fe (100) and (110) multilayers

B. Johansson, Y. Vekilov, I. Abrikosov, 1998 .

Effects of Interface Intermixing on the Magnetic Interlayer Coupling

B. Johansson, A. Niklasson, I. Abrikosov, 1997 .

Suppression of disorder broadening of core-level photoelectron lines in CuAu alloys by inhomogeneous lattice distortion

B. Johansson, I. Abrikosov, T. Marten, 2009 .

Core‐level shifts in complex metallic systems from first principle

I. Abrikosov, T. Marten, W. Olovsson, 2006 .

Ab initio study of disorder broadening of core photoemission spectra in random Cu-Pd and Ag-Pd alloys

I. Abrikosov, T. Marten, S. Simak, 2005 .

Ab initio calculations of the electronic topological transition in LiMg alloys

A. Ruban, I. Abrikosov, P. Korzhavyi, 1992 .

Sample preserving deep interface characterization technique.

E. Holmström, A. Niklasson, F. Schäfers, 2006, Physical review letters.

Fully relativistic spin-polarized exact muffin-tin-orbital method

B. Johansson, H. Ebert, A. Ruban, 2005 .

Importance of correlation effects in hcp iron revealed by a pressure-induced electronic topological transition.

A. Ruban, L. Dubrovinsky, M. Aichhorn, 2012, Physical review letters.

Corrigendum: Electron–electron scattering and thermal conductivity of ϵ-iron at Earth's core conditions (2017 New J. Phys. 19 073022)

I. Abrikosov, L. Pourovskii, S. Simak, 2018, New Journal of Physics.

Temperature-dependent lattice dynamics of antiferromagnetic and ferromagnetic phases of FeRh

I. Abrikosov, M. Belov, A. B. Syzdykova, 2020 .

Interface core-level shifts as a probe of embedded thin-film quality

A. Niklasson, I. Abrikosov, T. Marten, 2011 .

Valence-band hybridization and core level shifts in random Ag-Pd alloys.

I. Abrikosov, B. Johansson, W. Olovsson, 2001, Physical review letters.

Theoretical unification of hybrid-DFT and DFT + U methods for the treatment of localized orbitals

R. Armiento, Á. Gali, I. Abrikosov, 2014, 1406.2944.

Thermochromic Lead‐Free Halide Double Perovskites

Xiaojing Ren, Wei Huang, I. Abrikosov, 2019, Acta Crystallographica Section A Foundations and Advances.

Experimental and theoretical evidence of charge transfer in multi-component alloys – how chemical interactions reduce atomic size mismatch

I. Hotz, U. Jansson, S. Fritze, 2021, Materials Chemistry Frontiers.

Tetragonal distortion in magnetron sputtered bcc-W films with supersaturated carbon

U. Jansson, B. Alling, I. Abrikosov, 2022, Materials & Design.

Metastable silica high pressure polymorphs as structural proxies of deep Earth silicate melts

L. Dubrovinsky, V. Prakapenka, M. Hanfland, 2018, Nature Communications.

Predicting elastic properties of hard-coating alloys using ab-initio and machine learning methods

R. Armiento, D. Sangiovanni, I. Abrikosov, 2022, npj Computational Materials.

Optimization of ionic conductivity in doped ceria.

B. Johansson, I. Abrikosov, D. Andersson, 2006, Proceedings of the National Academy of Sciences of the United States of America.

Dipolar spin relaxation of divacancy qubits in silicon carbide

N. T. Son, I. Abrikosov, V. Iv'ady, 2021, npj Computational Materials.

The Structure of α‐Gallium and Its Relationship to Deltahedral Clusters

I. Abrikosov, S. Lidin, S. Simak, 1997 .

Effect of dispersion corrections on ab initio predictions of graphite and diamond properties under pressure

D. Gambino, D. Sangiovanni, I. Abrikosov, 2018, Physical Review B.

CORRIGENDUM: Multiple π-bands and Bernal stacking of multilayer graphene on C-face SiC, revealed by nano-Angle Resolved Photoemission

Rickard Armiento, Igor A. Abrikosov, Leif I. Johansson, 2014, Scientific Reports.

Accurate prediction of high-temperature elastic constants of Ti0.5Al0.5N random alloy

I. Abrikosov, F. Tasnádi, J. Tidholm, 2021 .

Ground-state properties of boron-doped diamond

L. Dubrovinsky, Y. Vekilov, I. Abrikosov, 2008 .

Lattice Dynamics and Electron–Phonon Coupling in Double Perovskite Cs2NaFeCl6

I. Buyanova, Weimin M. Chen, I. Abrikosov, 2023, The journal of physical chemistry. C, Nanomaterials and interfaces.

Anharmonicity and Ultralow Thermal Conductivity in Lead-Free Halide Double Perovskites.

I. Abrikosov, O. Hellman, S. Simak, 2019, Physical review letters.

Temperature-dependent effective third-order interatomic force constants from first principles

Igor A. Abrikosov, I. Abrikosov, O. Hellman, 2013, 1308.5436.

Compressibility of boron-doped diamond

L. Dubrovinsky, I. Abrikosov, W. Crichton, 2006 .

Anomalously enhanced superconductivity and ab initio lattice dynamics in transition metal carbides and nitrides

R. Ahuja, B. Johansson, Y. Vekilov, 2005 .

Realization of an Ideal Cairo Tessellation in Nickel Diazenide NiN2: High-Pressure Route to Pentagonal 2D Materials.

Jesse S. Smith, V. Prakapenka, I. Abrikosov, 2021, ACS nano.

Origin of the asymmetric spinodal decomposition in the Al-Zn system - art. no. 020101

B. Johansson, Y. Vekilov, I. Abrikosov, 2001 .

Origin of the anomalous piezoelectric response in wurtzite Sc(x)Al(1-x)N alloys.

G. Wingqvist, L. Hultman, C. Höglund, 2010, Physical review letters.

Low-Field Microwave-Free Magnetometry Using the Dipolar Spin Relaxation of Quartet Spin States in Silicon Carbide

N. T. Son, I. Abrikosov, V. Ivády, 2023, Physical Review Applied.

Quantum well stabilized point defect spin qubits.

N. T. Son, M. Holt, D. Awschalom, 2019, 1905.11801.

Identification of divacancy and silicon vacancy qubits in 6H-SiC

N. T. Son, T. Ohshima, R. Armiento, 2019, Applied Physics Letters.

Volume matching condition to establish the enhanced piezoelectricity in ternary (Sc,Y)0.5(Al,Ga,In)0.5N alloys

L. Hultman, I. Abrikosov, F. Tasnádi, 2013 .

On the interaction of toxic Heavy Metals (Cd, Hg, Pb) with graphene quantum dots and infinite graphene

R. Yakimova, V. Khranovskyy, I. Abrikosov, 2017, Scientific Reports.

Hybrid-DFT + Vw method for band structure calculation of semiconducting transition metal compounds: the case of cerium dioxide

Á. Gali, I. Abrikosov, V. Ivády, 2017, Journal of physics. Condensed matter : an Institute of Physics journal.

Significant configurational dependence of the electromechanical coupling constant of B0.125Al0.875N

I. Katardjiev, I. Abrikosov, F. Tasnádi, 2009 .

Theoretical model of dynamic spin polarization of nuclei coupled to paramagnetic point defects in diamond and silicon carbide

D. Awschalom, D. J. Christle, Á. Gali, 2015, 1505.05651.

Unified cluster expansion method applied to the configurational thermodynamics of cubic Ti1-xAlxN

A. Ruban, L. Hultman, B. Alling, 2010, 1012.3120.

Photoluminescence at the ground-state level anticrossing of the nitrogen-vacancy center in diamond: A comprehensive study

L. Bougas, A. Wickenbrock, D. Budker, 2020, 2006.05085.

Theoretical Investigation of the Single Photon Emitter Carbon Antisite-Vacancy Pair in 4H-SiC

E. Janzén, Á. Gali, I. Abrikosov, 2014 .

Effect of band filling on the pressure-induced structural transition in Mo-Re alloys

R. Ahuja, B. Johansson, Y. Vohra, 2002 .

Phase stability and electronic structure of iridium metal at the megabar range

F. Cova, I. Abrikosov, S. Pascarelli, 2019, Scientific Reports.

Dynamical coupling of wind and ocean waves through wave-induced air flow

B. Johansson, F. Langenhorst, I. A. Abrikosov, 2003 .

Nanoparticle growth by collection of ions: orbital motion limited theory and collision-enhanced collection

I. Abrikosov, U. Helmersson, E. P. Münger, 2016 .

Magnetically driven anisotropic structural changes in the atomic laminate M n 2 GaC

B. Alling, I. Abrikosov, U. Arnalds, 2016 .

Role of screening in the density functional applied to transition-metal defects in semiconductors

Economics, Biology, Budapest University of Technology, 2013, 1301.4126.

ADAQ: Automatic workflows for magneto-optical properties of point defects in semiconductors

R. Armiento, I. Abrikosov, V. Iv'ady, 2020, 2008.12539.

Magnetic properties of 3d impurities in GaAs

B. Johansson, I. Abrikosov, P. Korzhavyi, 2007 .

Total energy calculations for systems with magnetic and chemical disorder

I. Abrikosov, P. Olsson, L. Vitos, 2006 .

Numerical investigation of the validity of the Slater-Janak transition state model in metallic systems

I. Abrikosov, W. Olovsson, C. Goransson, 2005 .

Coherent Potential Approximation Within the Exact Muffin-Tin Orbitals Theory

B. Johansson, I. Abrikosov, L. Vitos, 2005 .

Structural Stability in Fe-Based Alloys

B. Johansson, O. Eriksson, I. Abrikosov, 1997 .

Stability of the ternary perovskites Sc3EN (E=B,Al,Ga,In) from first principles

L. Hultman, C. Höglund, B. Alling, 2009 .

Calculated properties of surface and subsurface nickel monolayers on copper

B. Johansson, Y. Vekilov, I. Abrikosov, 1999 .

Fermi-surface effect on magnetic interlayer coupling

B. L. Gyorffy, A. Bergman, I. Abrikosov, 2004, cond-mat/0402093.

Metastability of fcc-related Si-N phases

A. Flink, L. Hultman, B. Alling, 2008 .

Stabilization of polynitrogen anions in tantalum-nitrogen compounds at high pressure.

L. Dubrovinsky, V. Prakapenka, I. Abrikosov, 2021, Angewandte Chemie.

Na in diamond: high spin defects revealed by the ADAQ high-throughput computational database

R. Armiento, I. Abrikosov, J. Davidsson, 2023, npj Computational Materials.

Fe-N system at high pressure reveals a compound featuring polymeric nitrogen chains

L. Dubrovinsky, M. Mezouar, V. Prakapenka, 2018, Nature Communications.

Aromatic hexazine [N_6]^4− anion featured in the complex structure of the high-pressure potassium nitrogen compound K_9N_56

L. Dubrovinsky, M. Hanfland, I. Abrikosov, 2023, Nature Chemistry.

Resolving the debated atomic structure of the metastable cubic SiNx tissue phase in nanocomposites with TiN

L. Hultman, B. Alling, I. Abrikosov, 2018, Physical Review Materials.

Nanodomain structure of single crystalline nickel oxide

K. Fleischer, I. Abrikosov, I. Shvets, 2021, Scientific Reports.

Spin and photophysics of carbon-antisite vacancy defect in 4H silicon carbide: A potential quantum bit

E. Janzén, Á. Gali, I. Abrikosov, 2015 .

Magnetization of the unsegregated and segregated (100) surface of MoV

B. Johansson, Y. Vekilov, I. Abrikosov, 2003 .

Possible artifacts in inferring seismic properties from X-ray data

L. Dubrovinsky, I. Abrikosov, M. Krisch, 2016 .

Changes in work function due to NO 2 adsorption on monolayer and bilayer epitaxial graphene on SiC(0001)

R. Yakimova, R. Armiento, I. Abrikosov, 2016 .

Structural and electronic properties of Li-intercalated graphene on SiC(0001)

R. Armiento, I. Abrikosov, C. Xia, 2016, 1602.08322.

Wave function extended Lagrangian Born-Oppenheimer molecular dynamics

V. Weber, A. Niklasson, I. Abrikosov, 2010, 1006.2710.

Influence of the magnetic state on the chemical order-disorder transition temperature in Fe-Ni permalloy.

A. Ruban, I. Abrikosov, H. Zapolsky, 2010, Physical review letters.

Theoretical description of thermodynamic and mechanical properties of multicomponent bcc Fe-Cr-based alloys

I. Abrikosov, K. Karavaev, E. Smirnova, 2020 .

Vanishing Magnetic Interaction in Ferromagnetic Thin Films

Olle Eriksson, Igor A. Abrikosov, Roger Carr, 2005 .

Exploring magnetism of lead-free halide double perovskites: A high-throughput first-principles study

I. Abrikosov, S. Simak, J. Klarbring, 2023, Physical Review Materials.

First-principles theory of the pressure-induced invar effect in FeNi alloys

B. Alling, I. Abrikosov, Amanda Ehn, 2023, Physical Review B.

Features of Contact Interaction of BCC and FCC Metals

I. Abrikosov, A. Dmitriev, A. Nikonov, 2015 .

Finite temperature, magnetic,and many-body effects in Ab initio simulations of alloy thermodynamics

B. Alling, I. Abrikosov, S. Barannikova, 2013 .

Importance of Thermally Induced Magnetic Excitations in First-Principles Simulations of Elastic Properties of Transition Metal Alloys

I. Abrikosov, S. Barannikova, M. Ekholm, 2012 .

Lattice parameters, deviations from Vegard’s rule, and E2 phonons in InAlN

Igor A. Abrikosov, Lars Hultman, Katsumi Kishino, 2008 .

First-Principles Simulations of Alloy Thermodynamics in Megabar Pressure Range

I. Abrikosov, 2010 .

Ordered phases in Cu2NiZn: A first-principles Monte Carlo study

A. Ruban, I. Abrikosov, B. Johansson, 1998 .

Electron-deficient and polycenter bonds in the high-pressure γ-B28 phase of boron.

L. Dubrovinsky, Y. Filinchuk, I. Abrikosov, 2011, Physical review letters.

Phase formation in CrFeCoNi nitride thin films

D. Primetzhofer, P. Eklund, B. Alling, 2022, Physical Review Materials.

Total energy calculations of random alloys : Supercell, Connolly-Williams, and CPA methods

B. Johansson, H. Skriver, A. Ruban, 1998 .

Phase stability of Li(Mn100−xCox)O2 oxides: an ab initio study

P. Kumta, I. Abrikosov, L. Vitos, 2002 .

Interstitial carbon in bcc HfNbTiVZr high-entropy alloy from first principles

U. Jansson, B. Alling, I. Abrikosov, 2020, 2010.01354.

First Principles Simulations of Phase Stability in Stoichiometric and Doped LiMnO 2

P. Kumta, R. Ahuja, Chun-Chieh Chang, 2001 .

Locally favoured structures and dynamic length scales in a simple glass-former C

B. Alling, I. Abrikosov, S. Karmakar, 2017 .

Inverse pressure-induced Mott transition in TiPO4

H. Jónsson, L. Dubrovinsky, I. Abrikosov, 2019, Physical Review B.

High temperature decomposition and age hardening of single-phase wurtzite Ti$_{1-x}$Al$_{x}$N thin films grown by cathodic arc deposition

I. Abrikosov, L. Johnson, J. Salamania, 2023, 2305.18950.

First-principles study of the SiNx/TiN(001) interface

L. Hultman, B. Alling, I. Abrikosov, 2012 .

Mixing enthalpies of alloys with dynamical instability: bcc Ti-V system

A. Khvan, A. Dinsdale, I. Abrikosov, 2020, Acta Materialia.

Surface segregation energy in bcc Fe-rich Fe-Cr alloys

Y. Vekilov, I. Abrikosov, N. Skorodumova, 2007 .

Ab initio phonon calculations for L12 Ni3Al and B2 NiAl

R. Ahuja, B. Johansson, Y. Vekilov, 2004 .

Redox properties of CeO2-MO2 (M=Ti, Zr, Hf, or Th) solid solutions from first principles calculations

B. Johansson, I. Abrikosov, D. Andersson, 2007 .

Electronic topological transitions in Mo-Re random alloys

B. Johansson, Y. Vekilov, I. Abrikosov, 1998 .

Ground-state properties of ordered, partially ordered, and random Cu-Au and Ni-Pt alloys.

Ruban, A. Ruban, I. Abrikosov, 1995, Physical review. B, Condensed matter.

Quantum well stabilized point defect spin qubits.

D. Awschalom, Á. Gali, P. Klimov, 2020 .

Elastic constants, composition, and piezolectric polarization in InxAl1-xN: From ab initio calculations to experimental implications for the applicability of Vegards rule

L. Hultman, I. Abrikosov, V. Darakchieva, 2012 .

Madelung energy for random metallic alloys in the coherent potential approximation.

Ruban, A. Ruban, I. Abrikosov, 1995, Physical review. B, Condensed matter.

Energy dependence of exact muffin-tin-orbital structure constants

I. Abrikosov, L. Vitos, A. Kissavos, 2007 .

Impact of anharmonic effects on the phase stability, thermal transport, and electronic properties of AlN

M. Odén, I. Abrikosov, Z. Raza, 2016 .

Penta- and hexa-coordinated beryllium and phosphorus in high-pressure modifications of CaBe2P2O8

L. Dubrovinsky, I. Abrikosov, M. Bykov, 2019, Nature Communications.

Computer simulations of glasses: the potential energy landscape

B. Alling, I. Abrikosov, Z. Raza, 2015, Journal of physics. Condensed matter : an Institute of Physics journal.

Constitutional and thermal point defects in B2 NiAl

B. Johansson, A. Ruban, Y. Vekilov, 2000 .

Temperature-dependent elastic properties of binary and multicomponent high-entropy refractory carbides

Tyler J. Harrington, K. Vecchio, D. Sangiovanni, 2020, Materials & Design.

Fast LMTO-CPA method for electronic structure calculations of disordered alloys: application to Cu-Ni and Cu-Au systems

A. Ruban, I. Abrikosov, Yu.H. Vekilov, 1991 .

Carbon-contaminated topological defects in hexagonal boron nitride for quantum photonics

I. Abrikosov, Gergely Barcza, Rohit Babar, 2024, 2403.00755.

Order-N Green's function technique for local environment effects in alloys.

Johansson, Ruban, A. Niklasson, 1996, Physical review letters.

High temperature decomposition and age hardening of single-phase wurtzite Ti1−xAlx

I. Abrikosov, J. Salamania, F. Tasnádi, 2024, Physical Review Materials.

Core-level shifts for surface bimetallic systems from first-principles theory: Pd-Mn structures on Pd(100)

E. Holmström, I. Abrikosov, A. Sandell, 2003 .

Defect-induced magnetic structure in (Ga(1)-(x)Mn(x))As.

O. Eriksson, Y. Vekilov, P. Svedlindh, 2002, Physical review letters.

Intrinsic defects and transition metal impurities in GaAs

B. Johansson, O. Eriksson, Y. Vekilov, 2004 .

Remarkable Thermochromism in the Double Perovskite Cs2NaFeCl6

I. Buyanova, M. Fahlman, I. Abrikosov, 2023, Advanced Optical Materials.

Significant elastic anisotropy in Ti 1x Al x N alloys

M. Odén, J. Almer, I. Abrikosov, 2011 .

Correlation between Electronic Structure, Magnetism and Physical Properties of Fe-Cr alloys: Ab Initio Modeling

I. Abrikosov, P. Olsson, A. Ponomareva, 2008 .

Descriptor for slip-induced crack blunting in refractory ceramics

M. Odén, M. Mrovec, D. Sangiovanni, 2022, Physical Review Materials.