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

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.

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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