First-Principles Study of the Elastic, Hardness and Electronic Properties of MoAlB under High Pressure

2019 ◽  
Vol 74 (5) ◽  
pp. 473-480
Author(s):  
Xiao Ling Zhu ◽  
Wei Yang ◽  
Shan Shan Gao ◽  
Jin Ping Zhang
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
First Principles ◽  
First Principles Study

scholarly journals High-pressure formation of antimony nitrides: a first-principles study

RSC Advances ◽  
2020 ◽  
Vol 10 (5) ◽  
pp. 2448-2452
Author(s):  
Lili Lian ◽  
Yan Liu ◽  
Da Li ◽  
Shuli Wei
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Electronic Properties ◽  
Structural Phase Transition ◽  
First Principles ◽  
Structural Phase ◽  
First Principles Study ◽  
Bonding Properties ◽  
First Principles Method

The structural phase transition, electronic properties, and bonding properties of antimony nitrides have been studied by using a first principles method.

First-principles study on the structural, elastic and electronic properties of Ti2SiN under high pressure

2016 ◽  
Vol 237-238 ◽  
pp. 24-27 ◽  
Author(s):  
Hui Li ◽  
Zhenjun Wang ◽  
Guodong Sun ◽  
Pengfei Yu ◽  
Wenxue Zhang
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
First Principles ◽  
First Principles Study

First-principles study on structural, mechanical and electronic properties of thorium dichalcogenides under high pressure

2018 ◽  
Vol 508 ◽  
pp. 147-153
Author(s):  
Yongliang Guo ◽  
Juncai Chen ◽  
Changying Wang ◽  
Zhaoyong Jiao ◽  
Xuezhi Ke ◽  
...  
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
First Principles ◽  
First Principles Study

scholarly journals Phase diagram, stability and electronic properties of an Fe–P system under high pressure: a first principles study

RSC Advances ◽  
2017 ◽  
Vol 7 (26) ◽  
pp. 15986-15991 ◽  
Author(s):  
Ziyuan Zhao ◽  
Lulu Liu ◽  
Shoutao Zhang ◽  
Tong Yu ◽  
Fei Li ◽  
...  
Keyword(s):  
Phase Diagram ◽  
High Pressure ◽  
Electronic Properties ◽  
First Principles ◽  
P System ◽  
Relative Stabilities ◽  
First Principles Study ◽  
Binary Compounds

The phase diagram and relative stabilities of Fe–P binary compounds are reliably determined at pressures of up to 400 GPa.

scholarly journals First-principles study of the structural, elastic and electronic properties of RhB under high pressure

2014 ◽  
Vol 63 (18) ◽  
pp. 186401
Author(s):  
Wang Jin-Rong ◽  
Zhu Jun ◽  
Hao Yan-Jun ◽  
Ji Guang-Fu ◽  
Xiang Gang ◽  
...  
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
First Principles ◽  
First Principles Study

Structural and electronic properties of sodium azide at high pressure: A first principles study

2013 ◽  
Vol 161 ◽  
pp. 13-18 ◽  
Author(s):  
Meiguang Zhang ◽  
Ketao Yin ◽  
Xinxin Zhang ◽  
Hui Wang ◽  
Quan Li ◽  
...  
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
Sodium Azide ◽  
First Principles ◽  
First Principles Study ◽  
Structural And Electronic Properties

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
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