B. Barbiellini

发表

Identifying a descriptor for d-orbital delocalization in cathodes of Li batteries based on x-ray Compton scattering

Y. Orikasa, H. Sakurai, H. Hafiz, 2016, 1608.02391.

Resolving unoccupied electronic states with laser ARPES in bismuth-based cuprate superconductors

H. Hafiz, M. Lindroos, Dung-Hai Lee, 2015, 1502.04153.

Structure of Manganese Oxide Nanoparticles Extracted via Pair Distribution Functions

A. Bansil, K. Ohara, B. Barbiellini, 2020, Condensed Matter.

Stochastic gradient approximation: An efficient method to optimize many-body wave functions

R. Nieminen, A. Harju, B. Barbiellini, 1997 .

Engineering a Robust Photovoltaic Device with Quantum Dots and Bacteriorhodopsin

Igor Nabiev, Seeram Ramakrishna, Konstantin Mochalov, 2014, The journal of physical chemistry. C, Nanomaterials and interfaces.

VARIATIONAL WAVE FUNCTION FOR A TWO-ELECTRON QUANTUM DOT

R. Nieminen, A. Harju, V. Sverdlov, 1998 .

Understanding Phase Stability of Metallic 1T-MoS2 Anodes for Sodium-Ion Batteries

C. Lane, A. Bansil, Hongli Zhu, 2019, Condensed Matter.

Photoemission spectroscopy using virtual photons emitted by positron sticking: a new probe of the top layer surface electronic structure

B. Barbiellini, A. Koymen, A. Fairchild, 2021, 2103.16735.

Structural properties of PbTe quantum dots revealed by high-energy x-ray diffraction

A. Bansil, K. Ohara, B. Barbiellini, 2020, Journal of physics. Condensed matter : an Institute of Physics journal.

Enhancement of Compton scattering by an effective coupling constant

B. Barbiellini, P. Nicolini, 2010, 1005.5496.

Ab initio description of the Bi2Sr2CaCu2O8+δ electronic structure

C. Lane, A. Bansil, B. Barbiellini, 2020, 2003.04034.

Position Dependent and Independent Evolutionary Models Based on Empirical Amino Acid Substitution Matrices

Alexandra A Portnova, M. Pellegrini, B. Barbiellini, 2004, q-bio/0405016.

Electronic coupling of colloidal CdSe nanocrystals monitored by thin-film positron-electron momentum density methods

P. E. Mijnarends, A. Bansil, D. Vanmaekelbergh, 2009, 0902.2819.

Spin moment over 10-300 K and delocalization of magnetic electrons above the Verwey transition in magnetite

P. E. Mijnarends, A. Bansil, B. Barbiellini, 2006, cond-mat/0703305.

Competing stripe and magnetic phases in the cuprates from first principles

J. Perdew, C. Lane, A. Bansil, 2019, Proceedings of the National Academy of Sciences.

Electromagnetic Field in Hybrid Quantum Plasmonic-Photonic Systems

V. Renugopalakrishnan, Subhabrata Das, B. Barbiellini, 2018 .

Synthesis and Properties of Au Hydride

K. Gilroy, S. Neretina, C. Lane, 2019, ChemistrySelect.

Biocom²: Nsf Workshop on Biological Computations and Communications

T. Ritz, B. Barbiellini, 2022 .

Visualizing the mixed bonding properties of liquid boron with high-resolution x-ray Compton scattering.

R. Ishikawa, A. Bansil, B. Barbiellini, 2015, Physical review letters.

Oxygen disorder in ice probed by x-ray Compton scattering

A. Shukla, T. Buslaps, C. Bellin, 2011, 1101.2212.

Compton scattering beyond the impulse approximation

I. G. Kaplan, A. Bansil, B. Barbiellini, 2003, cond-mat/0304294.

Optical Properties of Bacteriorhodopsin–Gold Bionano Interfaces

P. Somasundaran, Subhabrata Das, B. Barbiellini, 2019, The Journal of Physical Chemistry C.

Extracting d-orbital occupancy from magnetic Compton scattering in bilayer manganites

P. E. Mijnarends, J. Mitchell, A. Bansil, 2005, cond-mat/0505435.

A simple approach towards non-local potentials: theory and applications

T. Jarlborg, B. Barbiellini, 1989 .

Spin moment over 10-300 K and delocalization of magnetic electrons above the Verwey transition in magnetite

P. E. Mijnarends, A. Bansil, B. Barbiellini, 2006, cond-mat/0703305.

Positron Annihilation Spectroscopy as a Diagnostic Tool for the Study of LiCoO2 Cathode of Lithium-Ion Batteries

B. Barbiellini, Gioele Pagot, V. Di Noto, 2021, Condensed Matter.

Electronic coupling of colloidal CdSe nanocrystals monitored by thin-film positron-electron momentum density methods

P. E. Mijnarends, A. Bansil, D. Vanmaekelbergh, 2009, 0902.2819.

Engendering anion immunity in oxygen consuming cathodes based on Fe-N x electrocatalysts: Spectroscopic and electrochemical advanced characterizations

H. Hafiz, A. Bansil, S. Mukerjee, 2016 .

Identification of ferrimagnetic orbitals preventing spinel degradation by charge ordering in LixMn2O4

Y. Orikasa, H. Sakurai, H. Hafiz, 2019, Physical Review B.

Ligand-surface interactions and surface oxidation of colloidal PbSe quantum dots revealed by thin-film positron annihilation methods

S. Kinge, A. Bansil, B. Barbiellini, 2016, 1603.02547.

Critical role of magnetic moments in heavy-fermion materials: Revisiting SmB6

C. Lane, A. Bansil, Yubo Zhang, 2022, Physical Review B.

Competing Incommensurate Spin Fluctuations and Magnetic Excitations in Infinite-Layer Nickelate Superconductors

C. Lane, A. Bansil, B. Barbiellini, 2022, 2208.08375.

Identification of a Robust and Durable FeN4Cx Catalyst for ORR in PEM Fuel Cells and the Role of the Fifth Ligand

A. Bansil, S. Mukerjee, B. Barbiellini, 2022, ACS Catalysis.

Fingerprints of nematicity and competing orders in the infinite-layer nickelate

C. Lane, A. Bansil, B. Barbiellini, 2022, 2207.00184.

Identifying a descriptor for d-orbital delocalization in cathodes of Li batteries based on x-ray Compton scattering

Y. Orikasa, H. Sakurai, H. Hafiz, 2016, 1608.02391.

Non-destructive measurement of in-operando lithium concentration in batteries via x-ray Compton scattering

Y. Orikasa, H. Sakurai, H. Hafiz, 2016, 1601.03452.

Effect of Disorder and Doping on Electronic Structure and Diffusion Properties of Li3V2O5

H. Hafiz, V. Viswanathan, A. Bansil, 2022, The Journal of Physical Chemistry C.

First Principles Calculations of the Optical Response of LiNiO2

H. Sakurai, U. Lassi, A. Bansil, 2022, Condensed Matter.

Photoemission Spectroscopy Using Virtual Photons Emitted by Positron Sticking: A Complementary Probe for Top-Layer Surface Electronic Structures.

A. R. Koymen, B. Barbiellini, A. Koymen, 2021, Physical review letters.

First Principles Calculations of the Optical Response of LiNiO 2

H. Sakurai, U. Lassi, A. Bansil, 2022 .

A Fermi Surface study of Ba$_{1-x}$K$_{x}$BiO$_{3}$

M. Lindroos, A. Bansil, B. Barbiellini, 1999, cond-mat/9912125.

A spin-polarized scheme for obtaining quasi-particle energies within the density functional theory

A. Bansil, B. Barbiellini, 2005, cond-mat/0505433.

A simple approach towards non-local potentials: theory and applications

T. Jarlborg, B. Barbiellini, 1989 .

Correlation effects for electron-positron momentum density in solids

R. Nieminen, M. Puska, B. Barbiellini, 1997 .

Impact of circular design of lithium-ion batteries on supply of lithium for electric cars towards a sustainable mobility and energy transition

Saeed Rahimpour Golroudbary, B. Barbiellini, Laura Albareda, 2021 .

Pressure-dependent electronic properties of MgO polymorphs: a first-principles study of Compton profiles and autocorrelation functions

K. B. Joshi, B. K. Sharma, B. Barbiellini, 2012, Journal of Materials Science.

Compton scattering beyond the impulse approximation

I. G. Kaplan, A. Bansil, B. Barbiellini, 2003, cond-mat/0304294.

A natural orbital method for the electron momentum distribution in matter

B. Barbiellini, 1998, cond-mat/9804145.

Modeling Highly Resolved Spectroscopies of Complex Materials

S. Basak, M. Lindroos, J. Nieminen, 2012 .

Inelastic magnetic X-ray scattering from highly correlated electron systems: La1.2Sr1.8Mn2O7, La0.7Sr0.3MnO3 and Fe3O4

P. E. Mijnarends, J. Mitchell, A. Bansil, 2004 .

A Socio-technical Transition of Sustainable Lithium Industry in Latin America

B. Barbiellini, Laura Albareda, Ayberk Soyer, 2020 .

Dyson orbitals, quasi-particle effects and Compton scattering

A. Bansil, B. Barbiellini, 2004, cond-mat/0405167.

A Computational Study of Nickel Ferrite

C. Vittoria, V. Harris, B. Barbiellini, 2006 .

Uniaxial "nematic-like" electronic structure and Fermi surface of untwinned CaFe2As2

E. Rotenberg, E. Bauer, M. Lindroos, 2010, 1009.0271.

High Resolution Compton Scattering as a Probe of the Fermi Surface in the Iron-based Superconductor LaO1−xFxFeAs

P. E. Mijnarends, A. Bansil, B. Barbiellini, 2009, 1002.1072.

Identifying Redox Orbitals and Defects in Lithium-Ion Cathodes with Compton Scattering and Positron Annihilation Spectroscopies: A Review

H. Sakurai, H. Hafiz, A. Bansil, 2022, Condensed Matter.

Magnetic Compton Scattering Study of Li-Rich Battery Materials

Y. Orikasa, H. Sakurai, H. Hafiz, 2021, Condensed Matter.

Surfaces of colloidal PbSe nanocrystals probed by thin-film positron annihilation spectroscopy

P. E. Mijnarends, A. Bansil, B. Barbiellini, 2013, 1308.5227.

Quantum view of Li-ion high mobility at carbon-coated cathode interfaces

X. Li, B. Barbiellini, K. Vezzù, 2022, iScience.

Inelastic x-ray scattering from valence electrons near absorption edges of FeTe and TiSe 2

T. Schmitt, B. Barbiellini, Y. Joly, 2014 .

Symmetry-broken electronic structure and uniaxial Fermi surface nesting of untwinned CaFe2As2

E. Rotenberg, E. Bauer, M. Lindroos, 2013 .

Different doping from apical and planar oxygen vacancies in Ba 2 CuO 4 − δ and La 2 CuO 4 − δ : First-principles band structure calculations

A. Bansil, T. Jarlborg, B. Barbiellini, 2012 .

Electrochemical Potential of the Metal Organic Framework MIL-101(Fe) as Cathode Material in Li-Ion Batteries

A. Bansil, B. Barbiellini, M. Kadek, 2021, Condensed Matter.

Improved generalized gradient approximation for positron states in solids

B. Barbiellini, J. Kuriplach, 2013, 1308.5808.

Gradient correction scheme for bulk and defect positron states in materials: New developments

B. Barbiellini, J. Kuriplach, 2014, 1407.4154.

Enhancement factors for positron annihilation studies

B. Barbiellini, J. Mitroy, 2002 .

Calculation of positron lifetimes in bulk materials

T. Jarlborg, B. Barbiellini, P. Genoud, 1991 .

Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement

E. D. Isaacs, Bernardo Barbiellini, D. R. Hamann, 1999 .

Magnetic and f-electron effects in LaNiO2 and NdNiO2 nickelates with cuprate-like $$3{d}_{{x}^{2}-{y}^{2}}$$ band

C. Lane, A. Bansil, B. Barbiellini, 2021, Communications Physics.

Examining the surface phase diagram of IrTe2 with photoemission

B. Barbiellini, K. Ma, K. Dani, 2020, Physical Review B.

Compton scattering evidence for covalency of the hydrogen bond in ice

D. Hamann, A. Shukla, P. Platzman, 2000 .

Molecular-level understanding of highly selective heavy rare earth element uptake by organophosphorus modified MIL-101(Cr)

M. A. van der Veen, B. Barbiellini, E. Repo, 2022, Chemical Engineering Journal.

Study of colloidal quantum-dot surfaces using an innovative thin-film positron 2D-ACAR method

P. E. Mijnarends, A. Bansil, B. Barbiellini, 2006, Nature materials.

Superconducting and antiferromagnetic properties of dual-phase V3Ga

A. Bansil, B. Barbiellini, L. H. Lewis, 2020, Applied Physics Letters.

Experimental Observation of Redox-Induced Fe-N Switching Behavior as a Determinant Role for Oxygen Reduction Activity.

Edward F. Holby, H. Hafiz, Gang Wu, 2015, ACS nano.

First-principles calculation of spin and orbital contributions to magnetically ordered moments in Sr2IrO4

C. Lane, A. Bansil, Yubo Zhang, 2020, 2004.04759.

Calculation of exchange constants in manganese ferrite (MnFe2O4)

B. Barbiellini, X. Zuo, C. Vittoria, 2004 .

Evidence for spin swapping in an antiferromagnet

A. Bansil, G. Fiete, Jianshi Zhou, 2022, Nature Physics.

An accurate first-principles treatment of doping-dependent electronic structure of high-temperature cuprate superconductors

C. Lane, A. Bansil, Yubo Zhang, 2018 .

Lindhard and RPA susceptibility computations in extended momentum space in electron-doped cuprates

P. E. Mijnarends, S. Basak, A. Bansil, 2012, 1208.3210.

Renormalization of f-levels away from the Fermi energy in electron excitation spectroscopies: Density functional results of Nd$_{2-x}$Ce$_x$CuO$_4$

A. Bansil, T. Jarlborg, B. Barbiellini, 2011, 1103.0020.

Solution of the Eliashberg equations for a very strong electron‐phonon coupling with a low‐energy cutoff

T. Jarlborg, M. Weger, M. Peter, 1995 .

Gap distribution of the tunneling spectra in Bi2Sr2CaCu2Ox and some other superconductors

C. Renner, M. Weger, M. Peter, 1994 .

Solutions of the Eliashberg equations with abnormally large values of 2Δ(0)/TC

M. Weger, M. Peter, B. Barbiellini, 1996 .

Solutions of Eliashberg equations for an electron-phonon coupling with a cutoff

M. Weger, B. Barbiellini, M. Peter, 1994 .

Critical role of magnetic moments on lattice dynamics in YBa${}_{2}$Cu${}_{3}$O${}_{6}$

C. Lane, A. Bansil, Yubo Zhang, 2022, 2210.06569.

Positron annihilation in YBa2Cu3O7−δ: A clearer picture

A. Shukla, S. Massidda, M. Gauthier, 1993 .

A Compton scattering study of insulating PrBa2Cu3O7−δ and superconducting YBa2Cu3O7−δ

A. Shukla, P. Suortti, T. Buslaps, 2000 .

HOLE DEPLETION AND LOCALIZATION DUE TO DISORDER IN INSULATING PRBA2CU3O7-DELTA : A COMPTON SCATTERING STUDY

A. Shukla, P. Suortti, T. Buslaps, 1998, cond-mat/9805225.

Extracting the redox orbitals in Li battery materials with high-resolution x-ray compton scattering spectroscopy.

Y. Orikasa, H. Sakurai, H. Hafiz, 2015, Physical review letters.

A Minimal tight-binding model for ferromagnetic canted bilayer manganites

H. Hafiz, C. Lane, A. Bansil, 2014, Scientific Reports.

Bacteriorhodopsin Enhances Efficiency of Perovskite Solar Cells.

P. Somasundaran, Subhabrata Das, B. Barbiellini, 2019, ACS applied materials & interfaces.

Imaging Doped Holes in a Cuprate Superconductor with High-Resolution Compton Scattering

P. E. Mijnarends, S. Basak, A. Bansil, 2011, Science.

Proposal to determine the Fermi-surface topology of a doped iron-based superconductor using bulk-sensitive Fourier-transform Compton scattering

P. E. Mijnarends, Hsin Lin, A. Bansil, 2010, 1002.1483.

3D Dirac cone carrier dynamics in Na3Bi and Cd3As2

H. Drew, Tay-Rong Chang, Q. Gibson, 2016, 1605.02145.

Topological Dirac Semimetal Phase in Bismuth Based Anode Materials for Sodium-Ion Batteries

A. Agarwal, C. Lane, A. Bansil, 2020, Condensed Matter.

Three-dimensional Dirac cone carrier dynamics in Na 3 Bi and Cd 3 As 2

H. Drew, Tay-Rong Chang, Q. Gibson, 2016 .

Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional

A. Ruzsinszky, C. Lane, A. Bansil, 2016, Scientific Reports.

Evidence for a positron bound state on the surface of a topological insulator

B. Barbiellini, D. Heiman, A. Weiss, 2014 .

Effects of gradient corrections on electronic structure in metals

T. Jarlborg, B. Barbiellini, E. Moroni, 1990 .

Two-dimensional folding technique for enhancing Fermi surface signatures in the momentum density: Application to Compton scattering data from an Al-3 at. % Li disordered alloy

P. E. Mijnarends, H. Kawata, A. Bansil, 2001, cond-mat/0106139.

Positronium emission spectra from self-assembled metal-organic frameworks

A. Matzger, B. Barbiellini, P. Crivelli, 2014 .

Natural orbital functional theory and pairing correlation effects in electron momentum density

B. Barbiellini, 2014, 1403.0004.

Importance of local band effects for ferromagnetism in hole-doped La2CuO4 cuprate superconductors.

T. Jarlborg, B. Barbiellini, 2008, Physical review letters.

M ay 2 00 5 A spin-polarized scheme for obtaining quasiparticle energies within the density functional theory

A. Bansil, B. Barbiellini, 2005 .

Tomographic reconstruction of oxygen orbitals in lithium-rich battery materials

Y. Orikasa, H. Sakurai, H. Hafiz, 2021, Nature.

Anodic Activity of Hydrated and Anhydrous Iron (II) Oxalate in Li-Ion Batteries

F. Keshavarz, A. Bansil, B. Barbiellini, 2022, Condensed Matter.

Auger-mediated sticking of positrons to surfaces: evidence for a single-step transition from a scattering state to a surface image potential bound state.

J. F. Williams, N. G. Fazleev, B. Barbiellini, 2010, Physical review letters.

Muonium emission into vacuum from mesoporous thin films at cryogenic temperatures.

B. Barbiellini, P. Crivelli, Z. Salman, 2011, Physical review letters.

Sensitivity of the electronic and magnetic structures of cuprate superconductors to density functional approximations

C. Lane, A. Bansil, Yubo Zhang, 2020, npj Computational Materials.

Ab intio description of the electronic structure of high-temperature cuprate superconductors: A Comparative Density Functional Study

C. Lane, A. Bansil, Yubo Zhang, 2020 .

Antiferromagnetic ground state of La2CuO4 : A parameter-free ab initio description

C. Lane, A. Bansil, Yubo Zhang, 2018, Physical Review B.

An accurate first-principles treatment of doping-dependent electronic structure of high-temperature cuprate superconductors

C. Lane, A. Bansil, Yubo Zhang, 2018, Communications Physics.

First-Principles Perspective on Gas Adsorption by [Fe4S4]-Based Metal–Organic Frameworks

B. Barbiellini, N. Rezaei, F. Keshavarz, 2022, Langmuir : the ACS journal of surfaces and colloids.

Coulomb correlation in noncollinear antiferromagnetic α -Mn

C. Lane, A. Bansil, B. Barbiellini, 2019, Physical Review B.

Extracting d-orbital occupancy from magnetic Compton scattering in bilayer manganites

P. E. Mijnarends, J. Mitchell, A. Bansil, 2005, cond-mat/0505435.

Magnetic momentum density, Fermi surface and directional magnetic Compton profiles in LaSr$_{2}$Mn$_{2}$O$_{7}$ and La$_{1.2}$Sr$_{1.8}$Mn$_2$O$_7$

P. E. Mijnarends, J. Mitchell, A. Bansil, 2005, cond-mat/0501433.

Electrical and magnetic properties of thin films of the spin-filter material CrVTiAl

D. Graf, C. Lane, A. Bansil, 2019, Physical Review B.

Structural and electronic properties of the spin-filter material CrVTiAl with disorder

D. Graf, C. Lane, A. Bansil, 2019, Journal of Applied Physics.

Effects of Excess or Deficiency of Oxygen Content on the Electronic Structure of High-Tc Cuprates

A. Bianconi, A. Bansil, T. Jarlborg, 2013, 1304.3565.

Electron momentum density and Compton profile in disordered alloys

P. E. Mijnarends, A. Bansil, B. Barbiellini, 2001 .

Compensated Ferrimagnetism in the Zero-Moment Heusler Alloy Mn 3 Al

J. Borchers, A. Bansil, G. E. Sterbinsky, 2017 .

Resonating-valence-bond ground state of lithium nanoclusters

A. Bansil, C. Attaccalite, B. Barbiellini, 2008, 0810.0680.

Treatment of correlation effects in electron momentum density: density functional theory and beyond

A. Bansil, B. Barbiellini, 2001, cond-mat/0105056.

Many-Electron wave function and momentum density

B. Barbiellini, 2000, cond-mat/0007290.

Many-Body Effects in FeN4 Center Embedded in Graphene

H. Hafiz, A. Bansil, B. Barbiellini, 2020, Applied Sciences.

Correlation effects for positron annihilation with core and semicore electrons

T. Korhonen, R. Nieminen, M. Puska, 1997 .

Minority-spin t2g states and the degree of spin polarization in ferromagnetic metallic La2−2xSr1+2xMn2O7 (x = 0.38)

E. Rotenberg, J. Douglas, J. Mitchell, 2013, Scientific Reports.

Electronic structure of the metallic ground state of La2-2xSr1+2xMn2O7 for x≈0.59 and comparison with x=0.36, 0.38 compounds as revealed by angle-resolved photoemission

Hsin Lin, J. Douglas, J. Mitchell, 2008 .

Temperature-dependent orbital degree of freedom of a bilayer manganite by magnetic compton scattering.

P. E. Mijnarends, J. Mitchell, A. Bansil, 2004, Physical review letters.

The healing mechanism for excited molecules near metallic surfaces

P. Platzman, B. Barbiellini, 2005, cond-mat/0506403.

Competing stripe and magnetic phases in the cuprates from first principles

J. Perdew, C. Lane, A. Bansil, 2018, Proceedings of the National Academy of Sciences.

First-principles calculation of spin and orbital contributions to magnetically ordered moments in Sr_{2}IrO_{4}

Markiewicz, C. Lane, A. Bansil, 2020 .

Peierls distortion driven multi-orbital origin of charge density waves in the undoped infinite-layer nickelate

C. Lane, A. Bansil, B. Barbiellini, 2022, 2207.00184.

f-Electron and Magnetic Ordering Effects in Nickelates LaNiO2 and NdNiO2: Remarkable Role of The Cuprate-Like 3dx2-y2 Band

C. Lane, A. Bansil, B. Barbiellini, 2020, 2009.05816.

Anomalous electronic correlations in the ground state momentum density of Al(97)Li(3).

H. Kawata, A. Bansil, B. Barbiellini, 2006, Physical review letters.

Design of a Stable Heusler Alloy with Switchable Metal‐to‐Half‐Metal Transition at Finite Temperature

A. Bansil, B. Barbiellini, V. Sokolovskiy, 2021, Advanced Theory and Simulations.

Correlation effects on ground-state properties of ternary Heusler alloys: First-principles study

B. Barbiellini, V. Sokolovskiy, E. Lähderanta, 2019, Physical Review B.

Gate-tunable magnetism of C adatoms on graphene

B. Barbiellini, E. Lahderanta, K. Pussi, 2018, Physical Review B.

Ab initio calculations of the hydrogen bond

A. Shukla, B. Barbiellini, Bernardo Barbiellini, 2002, cond-mat/0210316.

Oxygen disorder in ice probed by x-ray Compton scattering

A. Shukla, T. Buslaps, C. Bellin, 2011, 1101.2212.

Hydrogen bonding and coordination in normal and supercritical water from X-ray inelastic scattering

A. Shukla, J. Hazemann, N. Marzari, 2007, cond-mat/0702617.

Auger electron emission initiated by the creation of valence-band holes in graphene by positron annihilation

A. R. Koymen, S. K. Imam, B. Barbiellini, 2017, Nature Communications.

Increase in the positronium emission yield from polycrystalline tungsten surfaces by sodium coating

B. Barbiellini, A. Yagishita, T. Yamashita, 2015 .

O ct 2 00 2 Ab initio calculations of the hydrogen bond

A. Shukla, B. Barbiellini, 2008 .

Surface states and positron annihilation spectroscopy: results and prospects from a first-principles approach

B. Barbiellini, B. Partoens, R. Saniz, 2017 .

Extracting the cation distributions in NiFe2−xAlxO4 solid solutions using magnetic Compton scattering

A. Bansil, B. Barbiellini, M. Itou, 2015, Journal of physics. Condensed matter : an Institute of Physics journal.

Understanding the magnetic interaction between intrinsic defects and impurity ions in room-temperature ferromagnetic Mg1−xFexO thin films

Jinghua Guo, Z. Hussain, A. Bansil, 2016, Journal of physics. Condensed matter : an Institute of Physics journal.

Advanced characterization of lithium battery materials with positrons

B. Barbiellini, J. Kuriplach, 2017 .

The EPMD-LMTO program for electron-positron momentum density calculations in solids

T. Jarlborg, B. Barbiellini, S. Dugdale, 2003 .

Positron States in Materials: Dft and QMC Studies

B. Barbiellini, 2001 .

Fermi surface of γ-tin studied by positron 2D-ACAR

M. Peter, B. Barbiellini, A. Manuel, 1996 .

Electron-positron momentum density in Tl2Ba2CuO6

S. Massidda, M. Gauthier, T. Jarlborg, 1994 .

Electronic and positronic states in YBa2Cu4O8

T. Jarlborg, B. Barbiellini, 1992 .

Possible indication of fermi surface of YBa25Cu3O7 by positron annihilation

G. Adam, A. Shukla, M. Peter, 1991 .

Positron annihilation and correlation in high-Tc oxides

M. Peter, B. Barbiellini, E. Boroński, 1991 .

Positron surface state as a spectroscopic probe for characterizing surfaces of topological insulator materials

J. Moodera, A. Bansil, B. Barbiellini, 2016, 1605.06629.

Proposed parameter-free model for interpreting the measured positron annihilation spectra of materials using a generalized gradient approximation.

B. Barbiellini, J. Kuriplach, 2015, Physical review letters.

Explaining the x-ray nonlinear susceptibility of diamond and silicon near absorption edges

K. Tamasaku, B. Barbiellini, Y. Joly, 2015, 1510.04302.

Persistence of covalent bonding in liquid silicon probed by inelastic x-ray scattering.

R. Ishikawa, A. Bansil, B. Barbiellini, 2012, Physical review letters.

Compton Spectroscopy and Chemical Bonding

A. Shukla, P. Suortti, T. Buslaps, 2001 .

Direct Observation of Energy-Gap Scaling Law in CdSe Quantum Dots with Positrons

K. Lynn, B. Barbiellini, P. Sterne, 2002 .

Compton scattering, positron annihilation, and the electronic properties of quantum dots

B. Barbiellini, R. Saniz, A. Denison, 2002 .

Parameter-free generalized gradient approximation for positron states in solids

B. Barbiellini, J. Kuriplach, 2015 .

Accurate description of the van der Waals interaction of an electron-positron pair with the surface of a topological insulator

B. Barbiellini, B. Partoens, D. Lamoen, 2014 .

High-temperature cuprate superconductors studied by x-ray Compton scattering and positron annihilation spectroscopies

B. Barbiellini, 2013, 1306.6094.

Physisorption of positronium on quartz surfaces.

P. Platzman, A. Freeman, B. Barbiellini, 2007, Physical review letters.

Nature of the Positron State in CdSe Quantum Dots.

M. Butterling, A. Bansil, B. Barbiellini, 2018, Physical review letters.

Electronic structure probed with positronium: Theoretical viewpoint

B. Barbiellini, J. Kuriplach, 2018 .

Why LiFePO4 is a safe battery electrode: Coulomb repulsion induced electron-state reshuffling upon lithiation.

D. Sokaras, T. Richardson, S. Basak, 2015, Physical chemistry chemical physics : PCCP.

Inelastic X-ray scattering (Compton) study of La1.85Sr0.15CuO4—anisotropic electron momentum distribution

A. Shukla, A. Bansil, B. Barbiellini, 2001 .

Application of molecular docking simulation to screening of metal–organic frameworks

B. Barbiellini, F. Keshavarz, Fatemeh Keshavarz, 2023, Computational Materials Science.

Electronic structure and excitations in oxygen deficient CeO 2−δ from DFT calculations

Z. Hussain, C. Lane, A. Bansil, 2014, 1403.7650.

Prediction of a Heusler alloy with switchable metal-to-half-metal behavior

B. Barbiellini, V. Sokolovskiy, E. Lähderanta, 2021, Physical Review B.

Electronic structure beyond the generalized gradient approximation for Ni2MnGa

B. Barbiellini, A. Zayak, V. Sokolovskiy, 2020, 2008.02553.

Study of Rechargeable Batteries Using Advanced Spectroscopic and Computational Techniques

Bernardo Barbiellini, Jan Kuriplach, Rolando Saniz, 2021, Condensed Matter.

Exchange-correlation corrections for electronic properties of half-metallic Co2FeSi and nonmagnetic semiconductor CoFeTiAl

B. Barbiellini, V. Sokolovskiy, E. Lähderanta, 2020, 2005.03383.

Anodic Potential and Conversion Chemistry of Anhydrous Iron (II) Oxalate in Na-Ion Batteries

A. Bansil, B. Barbiellini, F. Keshavarz, 2023, Condensed Matter.

Understanding the Quantum Oscillation Spectrum of Heavy-fermion Compound SmB6

C. Lane, A. Bansil, Yubo Zhang, 2020 .

Enhancement of Raman scattering from molecules placed near metal nanoparticles

B. Barbiellini, 2017 .

Fermi surfaces of high- Tc superconductors by positron 2D-ACAR

A. Shukla, S. Massidda, T. Jarlborg, 1995 .

Phase transformation and lithiation effect on electronic structure of Li(x)FePO4: an in-depth study by soft X-ray and simulations.

Yong‐Sheng Hu, Hong Li, D. Sokaras, 2012, Journal of the American Chemical Society.

First-Principles Study of the Impact of Grain Boundary Formation in the Cathode Material LiFePO4

B. Barbiellini, J. Kuriplach, A. Pulkkinen, 2019, Condensed Matter.

Visualizing redox orbitals and their potentials in advanced lithium-ion battery materials using high-resolution x-ray Compton scattering

Y. Orikasa, H. Sakurai, H. Hafiz, 2017, Science Advances.

Title Visualizing redox orbitals and their potentials in advanced lithium-ion battery materials using high-resolution x-ray

Y. Orikasa, H. Sakurai, H. Hafiz, 2018 .

Electron correlations, spontaneous magnetization and momentum density in quantum dots

A. Bansil, B. Barbiellini, R. Saniz, 2004, cond-mat/0405564.

Spontaneous Magnetization and Electron Momentum Density in 3D Quantum Dots

A. Bansil, B. Barbiellini, R. Saniz, 2003, cond-mat/0305222.

Positron studies of surfaces, structure and electronic properties of nanocrystals

P. E. Mijnarends, A. Bansil, D. Vanmaekelbergh, 2007, 0705.1113.

Radial Electron Momentum Densities of Colloidal CdSe Nanocrystals Determined by Positron Beam Analysis

P. E. Mijnarends, K. Lynn, A. Bansil, 2004 .

Atomic Structure of Mn-Doped CoFe2O4 Nanoparticles for Metal–Air Battery Applications

A. Bansil, K. Ohara, B. Barbiellini, 2023, Condensed Matter.

Role of oxygen electrons in the metal-insulator transition in the magnetoresistive oxide La2-2xSr1+2xMn2O7 probed by compton scattering.

P. E. Mijnarends, Hsin Lin, A. Bansil, 2009, Physical review letters.

Energy transfer performance of mechanical nanoresonators coupled with electromagnetic fields

G. Noubir, B. Barbiellini, H. Javaheri, 2011, Nanoscale Research Letters.

Biologically-Enabled Wireless Networks Design and Modeling

Guevara Noubir, Bernardo Barbiellini, G. Noubir, 2011 .

Redox oscillations in 18650-type lithium-ion cell revealed by in operando Compton scattering imaging

K. Jalkanen, H. Sakurai, H. Hafiz, 2021, Applied Physics Letters.

High-Energy X-Ray Compton Scattering Imaging of 18650-Type Lithium-Ion Battery Cell

K. Jalkanen, H. Sakurai, H. Hafiz, 2019, Condensed Matter.

Anomalous intense coherent secondary photoemission from a perovskite oxide

A. Bansil, B. Barbiellini, C. Zheng, 2023, Nature.

Exactly soluble model of resonant energy transfer between molecules

V. Renugopalakrishnan, B. Barbiellini, D. Moser, 2011, 1108.0935.

FORMATION OF HUMBOLDTINE DURING THE DISSOLUTION OF HEMATITE IN OXALIC ACID – DENSITY FUNCTIONAL THEORY (DFT) CALCULATIONS AND EXPERIMENTAL VERIFICATION

A. Häkkinen, B. Barbiellini, Riina Salmimies, 2021, Clays and Clay Minerals.

Estimating the standard deviation of eigenvalue distributions for the nonlinear free-vibration stochastic dynamics of cable networks

B. Barbiellini, L. Caracoglia, G. F. Giaccu, 2016, Meccanica.

Stochastic unilateral free vibration of an in-plane cable network

Luca Caracoglia, Gian Felice Giaccu, Bernardo Barbiellini, 2015 .

Modeling “unilateral” response in the cross-ties of a cable network: Deterministic vibration

Luca Caracoglia, Gian Felice Giaccu, Bernardo Barbiellini, 2014 .

Estimating the standard deviation of eigenvalue distributions for the nonlinear free-vibration stochastic dynamics of cable networks

B. Barbiellini, L. Caracoglia, G. F. Giaccu, 2017 .

Stability of light positronic atoms: Quantum Monte Carlo studies.

R. Nieminen, A. Harju, B. Barbiellini, 1996, Physical review. A, Atomic, molecular, and optical physics.

Many-body effects in porphyrin-like transition metal complexes embedded in graphene

H. Hafiz, A. Bansil, B. Barbiellini, 2019, 1906.05236.

Higher-order moments of eigenvalue and eigenvector distributions for the nonlinear stochastic dynamics of cable networks

B. Barbiellini, L. Caracoglia, G. F. Giaccu, 2017 .

New insights into the nanostructure of innovative thin film solar cells gained by positron annihilation spectroscopy

M. Zeman, D. Cahen, G. Hodes, 2017 .

Phase transformation and lithiation effect on electronic structure of Li(x)FePO4: an in-depth study by soft X-ray and simulations.

Yong‐Sheng Hu, Hong Li, D. Sokaras, 2012, Journal of the American Chemical Society.

Laser angle-resolved photoemission as a probe of initial state kz dispersion, final-state band gaps, and spin texture of Dirac states in the Bi2Te3 topological insulator

T. Lograsso, H. Hafiz, M. Lindroos, 2016 .

Direct observation of electron emission as a result of a VVV Auger transition in the valence band of Graphene

A. R. Koymen, S. K. Imam, B. Barbiellini, 2016, 1610.09575.

A Positron Implantation Profile Estimation Approach for the PALS Study of Battery Materials

B. Barbiellini, Gioele Pagot, V. Di Noto, 2023, Condensed Matter.

Angle-Resolved Spectroscopy of Positronium Emission from a Cu(110) Surface.

A. Mills, B. Barbiellini, J. Kuriplach, 2016, Physical review letters.

Extracting the redox orbitals in Li battery materials with high-resolution x-ray compton scattering spectroscopy.

Y. Orikasa, H. Hafiz, Y. Uchimoto, 2015, Physical review letters.

Positronium emission spectra from self-assembled metal-organic frameworks

A. Matzger, B. Barbiellini, P. Crivelli, 2013, 1309.6497.

Helical spin ordering in room-temperature metallic antiferromagnet Fe3Ga4

M. Kanatzidis, A. Bansil, B. Barbiellini, 2022, Journal of Alloys and Compounds.