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Juarez L. F. Da Silva
Juarez L. F. Da Silva
University of São Paulo (USP), São Carlos Institute of Chemistry (IQSC), São Carlos, SP, Brazil
iqsc.usp.br पर सत्यापित ईमेल - मुख्यपृष्ठ
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Nature of the Band Gap of Revealed by First-Principles Calculations and X-Ray Spectroscopy
A Walsh, JLF Da Silva, SH Wei, C Körber, A Klein, LFJ Piper, A DeMasi, ...
Physical Review Letters 100 (16), 167402, 2008
8702008
Hybrid functionals applied to rare-earth oxides: The example of ceria
JLF Da Silva, MV Ganduglia-Pirovano, J Sauer, V Bayer, G Kresse
Physical Review B—Condensed Matter and Materials Physics 75 (4), 045121, 2007
7222007
Density-Functional Calculations of the Structure of Near-Surface Oxygen Vacancies <?format ?>and Electron Localization on
MV Ganduglia-Pirovano, JLF Da Silva, J Sauer
Physical review letters 102 (2), 026101, 2009
6162009
Origins of band-gap renormalization in degenerately doped semiconductors
A Walsh, JLF Da Silva, SH Wei
Physical Review B—Condensed Matter and Materials Physics 78 (7), 075211, 2008
3932008
Converged properties of clean metal surfaces by all-electron first-principles calculations
JLF Da Silva, C Stampfl, M Scheffler
Surface science 600 (3), 703-715, 2006
3362006
Theoretical description of carrier mediated magnetism in cobalt doped ZnO
A Walsh, JLF Da Silva, SH Wei
Physical review letters 100 (25), 256401, 2008
3282008
Insights into the structure of the stable and metastable compounds
JLF Da Silva, A Walsh, H Lee
Physical Review B—Condensed Matter and Materials Physics 78 (22), 224111, 2008
2992008
Density functional theory investigation of , , and 13-atom metal clusters
MJ Piotrowski, P Piquini, JLF Da Silva
Physical Review B—Condensed Matter and Materials Physics 81 (15), 155446, 2010
2732010
Revised ab initio natural band offsets of all group IV, II-VI, and III-V semiconductors
YH Li, A Walsh, S Chen, WJ Yin, JH Yang, J Li, JLF Da Silva, XG Gong, ...
Applied Physics Letters 94 (21), 2009
2472009
Spin-Orbit Coupling and Ion Displacements in Multiferroic
HJ Xiang, SH Wei, MH Whangbo, JLF Da Silva
Physical review letters 101 (3), 037209, 2008
2372008
Optical properties of pseudobinary GeTe, , , , and from ellipsometry and density functional theory
JW Park, SH Eom, H Lee, JLF Da Silva, YS Kang, TY Lee, YH Khang
Physical Review B—Condensed Matter and Materials Physics 80 (11), 115209, 2009
2232009
Evolution of the structural, energetic, and electronic properties of the 3d, 4d, and 5d transition-metal clusters (30 TM n systems for n= 2–15): a density functional theory …
AS Chaves, MJ Piotrowski, JLF Da Silva
Physical chemistry chemical physics 19 (23), 15484-15502, 2017
2132017
Adsorption of Xe atoms on metal surfaces: New insights from first-principles calculations
JLFD Silva, C Stampfl, M Scheffler
Physical review letters 90 (6), 066104, 2003
2032003
Cohesive properties of group-III nitrides: A comparative study of all-electron and pseudopotential calculations using the generalized gradient approximation
M Fuchs, JLF Da Silva, C Stampfl, J Neugebauer, M Scheffler
Physical Review B 65 (24), 245212, 2002
1872002
Electronic structure of and Sn-doped by hard x-ray photoemission spectroscopy
C Körber, V Krishnakumar, A Klein, G Panaccione, P Torelli, A Walsh, ...
Physical Review B—Condensed Matter and Materials Physics 81 (16), 165207, 2010
1642010
Ethanol and water adsorption on close-packed 3d, 4d, and 5d transition-metal surfaces: a density functional theory investigation with van der Waals correction
P Tereshchuk, JLF Da Silva
The Journal of Physical Chemistry C 116 (46), 24695-24705, 2012
1422012
Revised basin-hopping Monte Carlo algorithm for structure optimization of clusters and nanoparticles
GG Rondina, JLF Da Silva
Journal of chemical information and modeling 53 (9), 2282-2298, 2013
1372013
The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation
AS Chaves, GG Rondina, MJ Piotrowski, P Tereshchuk, JLF Da Silva
The Journal of Physical Chemistry A 118 (45), 10813-10821, 2014
1342014
Effect of copassivation of Cl and Cu on CdTe grain boundaries
L Zhang, JLF Da Silva, J Li, Y Yan, TA Gessert, SH Wei
Physical review letters 101 (15), 155501, 2008
1342008
Effective coordination concept applied for phase change (GeTe) m (Sb2Te3) n compounds
JLF Da Silva
Journal of Applied Physics 109 (2), 2011
1332011
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