O. Diéguez

发表

First-principles investigation of the structural phases and enhanced response properties of the BiFeO 3 -LaFeO 3 multiferroic solid solution

J. Íñiguez, J. Wojdel, O. E. González-Vázquez, 2012 .

Molecular-dynamics study of the dynamic properties of fcc transition and simple metals in the liquid phase using the second-moment approximation to the tight-binding method

M. Alemany, O. Diéguez, C. Rey, 1999 .

Complex domain walls in BiFeO 3

J. Íñiguez, A. Zvezdin, Z. Gareeva, 2015 .

Erratum: Domain walls in a perovskite oxide with two primary structural order parameters: First-principles study ofBiFeO3[Phys. Rev. B87, 024102 (2013)]

J. Junquera, J. Íñiguez, O. Diéguez, 2014 .

Strain engineering magnetic frustration in perovskite oxide thin films.

J. Íñiguez, O. Diéguez, Carlos Escorihuela-Sayalero, 2012, Physical review letters.

Interplay between elasticity, ferroelectricity and magnetism at the domain walls of bismuth ferrite

J. Íñiguez, A. Zvezdin, Z. Gareeva, 2016 .

Comparison of variational real-space representations of the kinetic energy operator

M. Payne, P. Haynes, Chris-Kriton Skylaris, 2001, cond-mat/0112141.

Ferroelectric domains in multiferroic BiFeO3 films under epitaxial strains.

Yurong Yang, J. Íñiguez, W. Ren, 2013, Physical review letters.

Density-functional calculations of the structures, binding energies, and magnetic moments of Fe clusters with 2 to 17 atoms

M. Alemany, P. Ordejón, O. Diéguez, 2001 .

First-principles study of epitaxial strain in perovskites

D. Vanderbilt, K. Rabe, O. Diéguez, 2005, cond-mat/0506777.

Ab initio study of the phase diagram of epitaxial BaTiO 3

Berkeley, Astronomy, J. Neaton, 2004, cond-mat/0402101.

TIGHT BINDING MOLECULAR DYNAMICS STUDY OF THE STRUCTURES AND MELTING OF CLUSTERS OF HCP TRANSITION METALS

O. Diéguez, C. Rey, L. J. Gallego, 1998 .

First-principles investigation of morphotropic transitions and phase-change functional responses in BiFeO3-BiCoO3 multiferroic solid solutions.

J. Íñiguez, O. Diéguez, 2011, Physical review letters.

Controlling the supermagnetic response of tetragonal α-FeSi2 nanoislands

I. Goldfarb, A. Kohn, O. Diéguez, 2019, Applied Surface Science.

Interface Effects on Epilayer Surface Density of States by Scanning Tunneling Spectroscopy and Density Functional Theory

I. Goldfarb, O. Diéguez, F. Cesura, 2019, Advanced Theory and Simulations.

Flexoelectricity at ferroelectric domain walls: Predicting atomic structures via first-principles macroscopic theory

M. Stengel, O. Diéguez, 2022 .

The SIESTA method; developments and applicability

Emilio Artacho, J M Pruneda, J. M. Pruneda, 2008, Journal of physics. Condensed matter : an Institute of Physics journal.

Giant polarization in super-tetragonal thin films through interphase strain

Moon J. Kim, J. Deng, J. Scott, 2018, Science.

3 First-principles calculations : the example of BaTiO 3 films

O. Diéguez, 2008 .

Nonorthogonal generalized Wannier function pseudopotential plane-wave method

Arash A. Mostofi, Chris-Kriton Skylaris, Peter D. Haynes, 2002 .

Epitaxial phases ofBiMnO3from first principles

J. Íñiguez, O. Diéguez, 2015 .

Two types of charge ordering in bismuth nickelate

O. Diéguez, Netanela Cohen, 2021, Physical Review B.

Supertetragonal Phases of Perovskite Oxides: Insights from Electronic Structure Calculations

O. Diéguez, Netanela Cohen, 2020 .

Ferroelectricity in layered bismuth oxide down to 1 nanometer

Longlong Fan, J. Tian, Shiqing Deng, 2023, Science.

Measuring the mean inner potential of Al2O3 sapphire using off-axis electron holography.

A. Kohn, O. Diéguez, M. Halabi, 2019, Ultramicroscopy.

The Mean Inner Potential of Hematite α-Fe2O3 Across the Morin Transition.

A. Kohn, A. Rothschild, O. Diéguez, 2023, Microscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada.

First-principles calculations for insulators at constant polarization.

D. Vanderbilt, O. Diéguez, 2005, Physical review letters.

A density-functional study of the structures and electronic properties of C59Ni and C60Ni clusters

M. Alemany, O. Diéguez, C. Rey, 2001 .

Embedded atom model calculations of the structures of small Ni clusters and of a full Ni monolayer on the (001) surface of Al

R. Longo, O. Diéguez, C. Rey, 1999 .

A computer simulation study of the static structure and dynamic properties of liquid C60 using Girifalco's potential

M. Alemany, O. Diéguez, C. Rey, 2000 .

Morphology and magnetism of Fe monolayers and small Fen clusters (n = 2–19) supported on the Ni(111) surface

R. Longo, O. Diéguez, L. J. Gallego, 2007 .

Ab initio density-functional calculations of the geometries, electronic structures, and magnetic moments of Ni-C clusters

M. Alemany, O. Diéguez, C. Rey, 2000 .

Mapping Charge Distribution in Single PbS Core - CdS Arm Nano-Multipod Heterostructures by Off-Axis Electron Holography.

A. Kohn, Y. Golan, Y. Kauffmann, 2017, Nano letters.

Tungsten Oxide Mediated Quasi-van der Waals Epitaxy of WS2 on Sapphire

A. Ismach, M. Bedzyk, J. Rondinelli, 2023, ACS nano.

Tomographic layer-by-layer analysis of epitaxial iron-silicide nanostructures by DFT-assisted STS

I. Goldfarb, L. Geng, O. Diéguez, 2019 .

Mean inner potential of graphite measured by electron holography: Probing charge distribution and orbital diamagnetic susceptibility

A. Kohn, S. Gorfman, O. Diéguez, 2021, Carbon.

Multiple structural transitions driven by spin-phonon couplings in a perovskite oxide

J. Íñiguez, C. Cazorla, O. Diéguez, 2016, Science Advances.

Carbon Dioxide Reduction on Transition Metal Dichalcogenides with Ni and Cu Edge Doping: A Density-Functional Theory Study.

O. Diéguez, Ronen Kruchinin, 2023, Chemphyschem : a European journal of chemical physics and physical chemistry.

A computational study of gadolinium-doped ceria: Relationship between atomic arrangement and electrostriction

O. Diéguez, M. Asher, 2019, APL Materials.

Multiferroic phase transition near room temperature in BiFeO3 films.

S. Fusil, M. Bibes, J. Íñiguez, 2011, Physical review letters.

Improved multiferroic in EuTiO3 films by interphase strain engineering

Qinghua Zhang, Shiqing Deng, E. Guo, 2022, Chinese Chemical Letters.