scholarly journals Energetics of Mg and B adsorption on polar zinc oxide surfaces from first principles

2008 ◽  
Vol 77 (3) ◽  
Author(s):  
Kazume Nishidate ◽  
Masahito Yoshizawa ◽  
Masayuki Hasegawa
Keyword(s):  
Zinc Oxide ◽  
First Principles ◽  
Oxide Surfaces

scholarly journals Stability and morphology of cerium oxide surfaces in an oxidizing environment: A first-principles investigation

2009 ◽  
Vol 131 (10) ◽  
pp. 104701 ◽  
Author(s):  
Marco Fronzi ◽  
Aloysius Soon ◽  
Bernard Delley ◽  
Enrico Traversa ◽  
Catherine Stampfl
Keyword(s):  
Cerium Oxide ◽  
First Principles ◽  
Oxide Surfaces

scholarly journals Optoelectronic Properties of Zinc Oxide: A First-Principles Investigation Using the Tran-Blaha Modified Becke-Johnson Potential

2019 ◽  
Vol 256 (4) ◽  
pp. 1800380 ◽  
Author(s):  
Rosely M. V. S. Almeida ◽  
Andreia Luisa da Rosa ◽  
Thomas Frauenheim ◽  
Jailton S. de Almeida
Keyword(s):  
Zinc Oxide ◽  
First Principles ◽  
Optoelectronic Properties

The effect of C–Al (Ga) codoping on p-type tendency in zinc oxide by first-principles

2010 ◽  
Vol 32 (5) ◽  
pp. 595-598 ◽  
Author(s):  
Chunying Zuo ◽  
Jing Wen ◽  
Shenglong Zhu ◽  
Cheng Zhong
Keyword(s):  
Zinc Oxide ◽  
First Principles ◽  
P Type

First-principles study of doping effect on the phase transition of zinc oxide with transition metal doped

2012 ◽  
Vol 541 ◽  
pp. 250-255 ◽  
Author(s):  
Liang Wu ◽  
Tingjun Hou ◽  
Yi Wang ◽  
Yanfei Zhao ◽  
Zhenyu Guo ◽  
...  
Keyword(s):  
Phase Transition ◽  
Zinc Oxide ◽  
Transition Metal ◽  
First Principles ◽  
Doping Effect ◽  
First Principles Study ◽  
Metal Doped

Size-dependent piezoelectricity in zinc oxide nanofilms from first-principles calculations

2007 ◽  
Vol 90 (3) ◽  
pp. 033108 ◽  
Author(s):  
Chun Li ◽  
Wanlin Guo ◽  
Yong Kong ◽  
Huajian Gao
Keyword(s):  
Zinc Oxide ◽  
First Principles ◽  
First Principles Calculations ◽  
Size Dependent
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