引用次数
引用: 3,442
H-指数: 22
I10-指数 : 34
出版物: 80
Tailoring the properties of 3d transition metal perovskite oxides through strain: a first-principles study
Oswaldo Diéguez , Jorge Íñiguez
APS March Meeting Abstracts 2017 P37. 002 -P37. 002
2017
First-principles investigation of phase-change effects in multiferroics
Oswaldo Diéguez , Otto E González-Vázquez , Jacek C Wojdeł , Jorge Íñiguez
APS March Meeting Abstracts 2012 P32. 011 -P32. 011
2012
Constrained polarization study of ferroelectric KNO 3
Oswaldo Diéguez , David Vanderbilt
APS March Meeting Abstracts H41. 001 -H41. 001
2006
First-Principles Calculations at Constant Polarization
Oswaldo Diéguez , David Vanderbilt
arXiv preprint cond-mat/0511711
2005
First-principles simulations at constant electric polarization
Oswaldo Diéguez , David Vanderbilt
APS March Meeting Abstracts W26. 007 -W26. 007
2005
The structure of an Fe monolayer on the Ni (111) surface. A density-functional study using the generalized gradient approximation
O. Diéguez , R.C. Longo , A. Vega , L.J. Gallego
Solid State Communications 137 ( 3) 129 -131
3
2006
Ab initio density-functional calculations of the geometries, electronic structures, and magnetic moments of Ni-C clusters
C. Rey , M. M. G. Alemany , O. Diéguez , L. J. Gallego
Physical Review B 62 ( 19) 12640 -12643
31
2000
Multiferroic phase transition near room temperature in BiFeO3 films.
I. C. Infante , J. Juraszek , S. Fusil , B. Dupé
Physical Review Letters 107 ( 23) 237601
108
2011
Interplay between elasticity, ferroelectricity and magnetism at the domain walls of bismuth ferrite
Z. V. Gareeva , O. Diéguez , J. Íñiguez , A. K. Zvezdin
Physica Status Solidi-rapid Research Letters 10 ( 3) 209 -217
9
2016
A computer simulation study of the static structure and dynamic properties of liquid C60 using Girifalco's potential
M. M. G. Alemany , C. Rey , O. Diéguez , L. J. Gallego
Journal of Chemical Physics 112 ( 24) 10711 -10713
9
2000
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. M. G. Alemany , O. Diéguez , C. Rey , L. J. Gallego
Physical Review B 60 ( 13) 9208 -9211
49
1999
A computer simulation study of the ground-state configurations of Fe and Fe-Al clusters
O. Diéguez , R.C. Longo , C. Rey , L.J. Gallego
European Physical Journal D 7 ( 4) 573 -576
3
1999
Embedded atom model calculations of the structures of small Ni clusters and of a full Ni monolayer on the (001) surface of Al
R.C. Longo , O. Diéguez , C. Rey , L.J. Gallego
The European Physical Journal D 9 ( 1) 543 -546
4
1999
Density-functional calculations of the structures, binding energies, and magnetic moments of Fe clusters with 2 to 17 atoms
O. Diéguez , M. M. G. Alemany , C. Rey , Pablo Ordejón
Physical Review B 63 ( 20) 205407
173
2001
A computational study of gadolinium-doped ceria: Relationship between atomic arrangement and electrostriction
M. Asher , O. Diéguez
APL Materials 7 ( 4) 041109
2
2019
A density-functional study of the structures and electronic properties of C59Ni and C60Ni clusters
M. M. G. Alemany , O. Diéguez , C. Rey , L. J. Gallego
Journal of Chemical Physics 114 ( 21) 9371 -9374
23
2001
Morphology and magnetism of Fe monolayers and small Fenclusters (n= 2–19) supported on the Ni(111) surface
R C Longo , E Martínez , O Diéguez , A Vega
Nanotechnology 18 ( 5) 055701
2
2007
The SIESTA method; developments and applicability
Emilio Artacho , E Anglada , O Diéguez , J D Gale
Journal of Physics: Condensed Matter 20 ( 6) 064208
699
2008
Recent and forthcoming publications in pss
ZV Gareeva , O Diéguez , J Íñiguez , AK Zvezdin
Phys. Status Solidi A 213 ( 1) 10 -10
2016
REVIEW COPY NOT FOR DISTRIBUTION
IC Infante , J Juraszek , S Fusil , B Dupé
Phys Rev Lett 107 237601 -237601
David Vanderbilt L. J. Gallego Carlos Rey Karin M. Rabe P. Ordejon Javier Junquera Peter D Haynes Miguel Pruneda Eduardo Anglada Varela Daniel Sanchez-Portal Julian D Gale Alberto Garcia Emilio Artacho Jose M. Soler Linxing Zhang Arash Mostofi Jeffrey B. Neaton Silvia Tinte stephane fusil Eric Jacquet