دنبال کردن
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
ایمیل تأیید شده در iqsc.usp.br - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
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
8712008
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
7242007
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
6192009
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
3002008
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
2482009
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
2042003
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
1382013
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
Effective coordination concept applied for phase change (GeTe) m (Sb2Te3) n compounds‏
JLF Da Silva‏
Journal of Applied Physics 109 (2), 2011‏
1342011
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
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20