Systematic Theoretical Investigations for Crystal Structure Deformation in Group-III Nitrides: A First-Principles Study

2017 ◽  
Vol 255 (5) ◽  
pp. 1700446 ◽  
Author(s):  
Yuma Tsuboi ◽  
Toru Akiyama ◽  
Kohji Nakamura ◽  
Tomonori Ito
Keyword(s):  
Crystal Structure ◽  
First Principles ◽  
Group Iii Nitrides ◽  
Structure Deformation ◽  
Group Iii ◽  
First Principles Study ◽  
Theoretical Investigations

Point defects in group III nitrides: A comparative first-principles study

2019 ◽  
Vol 125 (21) ◽  
pp. 215705 ◽  
Author(s):  
Yinlu Gao ◽  
Dan Sun ◽  
Xue Jiang ◽  
Jijun Zhao
Keyword(s):  
Point Defects ◽  
First Principles ◽  
Group Iii Nitrides ◽  
Group Iii ◽  
First Principles Study

scholarly journals First-principles study of high-field-related electronic behavior of group-III nitrides

2014 ◽  
Vol 90 (12) ◽  
Author(s):  
Qimin Yan ◽  
Emmanouil Kioupakis ◽  
Debdeep Jena ◽  
Chris G. Van de Walle
Keyword(s):  
First Principles ◽  
High Field ◽  
Group Iii Nitrides ◽  
Group Iii ◽  
First Principles Study ◽  
Electronic Behavior

First-principles study of Al–Ni–Y ternary compounds for crystal structure validation

2008 ◽  
Vol 462 (1-2) ◽  
pp. 262-266 ◽  
Author(s):  
Dongwon Shin ◽  
William J. Golumbfskie ◽  
Earle R. Ryba ◽  
Zi-Kui Liu
Keyword(s):  
Crystal Structure ◽  
First Principles ◽  
Structure Validation ◽  
Ternary Compounds ◽  
First Principles Study

Adsorption of gas molecules on group III atoms adsorbed g-C3N4: A first-principles study

Vacuum ◽  
2020 ◽  
Vol 175 ◽  
pp. 109293 ◽  
Author(s):  
Kaifei Bai ◽  
Zhen Cui ◽  
Enling Li ◽  
Yingchun Ding ◽  
Jiangshan Zheng ◽  
...  
Keyword(s):  
First Principles ◽  
Group Iii ◽  
First Principles Study ◽  
Gas Molecules

scholarly journals First-principles study of the electric, magnetic, and orbital structure in perovskite ScMnO3

RSC Advances ◽  
2019 ◽  
Vol 9 (4) ◽  
pp. 2143-2151 ◽  
Author(s):  
Guang Song ◽  
Yuting Chen ◽  
Guannan Li ◽  
Benling Gao
Keyword(s):  
Crystal Structure ◽  
First Principles ◽  
Three Dimensional ◽  
Orbital Structure ◽  
Orbital Ordering ◽  
First Principles Study

The crystal structure and three-dimensional alternating complementary orbital ordering of perovskite ScMnO3.

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