First-principles study of the atomic structure and local vibrational modes of theDXcenter in GaAs under pressure

1992 ◽  
Vol 46 (20) ◽  
pp. 13131-13135 ◽  
Author(s):  
B. H. Cheong ◽  
K. J. Chang
Keyword(s):  
Atomic Structure ◽  
First Principles ◽  
Vibrational Modes ◽  
First Principles Study ◽  
Local Vibrational Modes

scholarly journals Adjusting the electronic properties and contact types of graphene/F-diamane-like C4F2 van der Waals heterostructure: a first principles study

RSC Advances ◽  
2021 ◽  
Vol 11 (60) ◽  
pp. 37981-37987
Author(s):  
Thi-Nga Do ◽  
Son-Tung Nguyen ◽  
Cuong Q. Nguyen
Keyword(s):  
Electronic Properties ◽  
Atomic Structure ◽  
First Principles ◽  
Van Der Waals ◽  
First Principles Study ◽  
Van Der Waals Heterostructure

We perform a first principles study to investigate the atomic structure, electronic properties and contact types of the graphene/F-diamane-like C4F2 heterostructure.

Atomic structure, stability and electronic properties of S(Al2CuMg)/Al interface: A first-principles study

2018 ◽  
Vol 93 ◽  
pp. 329-337 ◽  
Author(s):  
Xingzhi Pang ◽  
Wenchao Yang ◽  
Jianbing Yang ◽  
Mingjun Pang ◽  
Yongzhong Zhan
Keyword(s):  
Electronic Properties ◽  
Atomic Structure ◽  
First Principles ◽  
Structure Stability ◽  
First Principles Study

First-principles study of the binary Ni60Ta40 metallic glass: The atomic structure and elastic properties

2012 ◽  
Vol 358 (15) ◽  
pp. 1730-1734 ◽  
Author(s):  
Hua Tian ◽  
Yingmin Wang ◽  
Lei Liu ◽  
Xiaoqing Li ◽  
Chong Zhang ◽  
...  
Keyword(s):  
Metallic Glass ◽  
Elastic Properties ◽  
Atomic Structure ◽  
First Principles ◽  
First Principles Study

scholarly journals First-principles study of the atomic structure of glassy Ga10Ge15Te75

2018 ◽  
Vol 498 ◽  
pp. 338-344 ◽  
Author(s):  
Z. Chaker ◽  
G. Ori ◽  
M. Boero ◽  
C. Massobrio ◽  
E. Furet ◽  
...  
Keyword(s):  
Atomic Structure ◽  
First Principles ◽  
First Principles Study

scholarly journals Atomic structure and electronic properties of folded graphene nanoribbons: A first-principles study

2013 ◽  
Vol 113 (17) ◽  
pp. 173506 ◽  
Author(s):  
Wen-Jin Yin ◽  
Yue-E Xie ◽  
Li-Min Liu ◽  
Yuan-Ping Chen ◽  
Ru-Zhi Wang ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Atomic Structure ◽  
First Principles ◽  
Graphene Nanoribbons ◽  
First Principles Study
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