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

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.

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

First-principles calculation of W/WC interface: Atomic structure, stability and electronic properties

2015 ◽  
Vol 324 ◽  
pp. 205-211 ◽  
Author(s):  
Na Jin ◽  
Yanqing Yang ◽  
Xian Luo ◽  
Shuai Liu ◽  
Zhiyuan Xiao ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Atomic Structure ◽  
First Principles ◽  
First Principles Calculation ◽  
Structure Stability

First-principles study of two-dimensional bilayer GaN: structure, electronic properties and temperature effect

2019 ◽  
Vol 58 (SC) ◽  
pp. SCCB35 ◽  
Author(s):  
Tomoe Yayama ◽  
Anh Khoa Augustin Lu ◽  
Tetsuya Morishita ◽  
Takeshi Nakanishi
Keyword(s):  
Temperature Effect ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Study

Geometric, electronic properties of Au$_l$Pt$_m$ ($l$+$m$$\leqslant$10) clusters: A first-principles study

2021 ◽  
Author(s):  
Wei-Feng Xie ◽  
Hao-Ran Zhu ◽  
Shi-Hao Wei
Keyword(s):  
Density Functional Theory ◽  
Electronic Properties ◽  
First Principles ◽  
Density Functional ◽  
Inverse Design ◽  
Functional Theory ◽  
First Principles Study

The structural evolutions and electronic properties of Au$_l$Pt$_m$ ($l$+$m$$\leqslant$10) clusters are investigated by using the first$-$principles methods based on density functional theory (DFT). We use Inverse design of materials by...

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