High-pressure structural phase transition and electronic properties of the group-III nitrides

1993 ◽  
pp. 422-425
Author(s):  
A. Muñoz ◽  
K. Kunc
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Electronic Properties ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Group Iii Nitrides ◽  
Group Iii

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.

Theoretical aspects in structural distortion and the electronic properties of lithium peroxide under high pressure

2018 ◽  
Vol 20 (14) ◽  
pp. 9488-9497 ◽  
Author(s):  
Pornmongkol Jimlim ◽  
Komsilp Kotmool ◽  
Udomsilp Pinsook ◽  
Suttichai Assabumrungrat ◽  
Rajeev Ahuja ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Electronic Properties ◽  
Structural Phase Transition ◽  
First Principles ◽  
Structural Phase ◽  
Structural Distortion ◽  
First Principles Calculations ◽  
Lithium Peroxide

The structural phase transition and electronic properties of Li2O2 under pressures up to 500 GPa have been investigated using first-principles calculations.

scholarly journals DFT Calculations of the Structural, Mechanical, and Electronic Properties of TiV Alloy Under High Pressure

Symmetry ◽  
2019 ◽  
Vol 11 (8) ◽  
pp. 972 ◽  
Author(s):  
Fang Yu ◽  
Yu Liu
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Electronic Properties ◽  
Structural Phase Transition ◽  
Density Functional ◽  
Structural Phase ◽  
Applied Pressure ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
Dimensionless Ratio

A calculation program based on the density functional theory (DFT) is applied to study the structural, mechanical, and electronic properties of TiV alloys with symmetric structure under high pressure. We calculate the dimensionless ratio, elastic constants, shear modulus, Young’s modulus, bulk modulus, ductile-brittle transition, material anisotropy, and Poisson’s ratio as functions of applied pressure. Results suggest that the critical pressure of structural phase transition is 42.05 GPa for the TiV alloy, and structural phase transition occurs when the applied pressure exceeds 42.05 GPa. High pressure can improve resistance to volume change, as well as the ductility and atomic bonding, but the strongest resistances to elastic and shear deformation occur at P = 5   GPa for TiV alloy. Furthermore, the results of the density of states (DOS) indicate that the TiV alloy presents metallicity. High pressure disrupts the structural stability of the TiV alloy with symmetry, thereby inducing structural phase transition.

High-pressure structural phase transition and electronic properties of the alkali hydrides compounds XH (X = Li, Na)

2017 ◽  
Vol 90 (9) ◽  
pp. 914-927 ◽  
Author(s):  
Raed Jaradat ◽  
Mohammed Abu-Jafar ◽  
Issam Abdelraziq ◽  
Rabah Khenata ◽  
Dinesh Varshney ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Electronic Properties ◽  
Structural Phase Transition ◽  
Structural Phase

Structural phase transition and electronic properties of CaO under high pressure

2018 ◽  
Vol 5 (12) ◽  
pp. 125903 ◽  
Author(s):  
Cihan Kürkçü ◽  
Ziya Merdan ◽  
Çağatay Yamçıçıer
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Electronic Properties ◽  
Structural Phase Transition ◽  
Structural Phase

High-pressure structural phase transition and metallization in Ga2S3 under non-hydrostatic and hydrostatic conditions up to 36.4 GPa

2021 ◽  
Author(s):  
Linfei Yang ◽  
Jianjun Jiang ◽  
Lidong Dai ◽  
Haiying Hu ◽  
Meiling Hong ◽  
...  
Keyword(s):  
Phase Transition ◽  
Raman Spectroscopy ◽  
High Pressure ◽  
Structural Properties ◽  
Structural Phase Transition ◽  
First Principles ◽  
Theoretical Calculations ◽  
Structural Phase

The vibrational, electrical and structural properties of Ga2S3 were explored by Raman spectroscopy, EC measurements, HRTEM and First-principles theoretical calculations under different pressure environments up to 36.4 GPa.

The structural phase transition of ammonia borane under high pressure

2020 ◽  
Vol 45 (58) ◽  
pp. 33047-33058
Author(s):  
Lan-Ting Shi ◽  
Cui-E Hu ◽  
Alfonso Muñoz ◽  
Lin-Xiang Ji ◽  
Yao-Yao Huang ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Ammonia Borane

scholarly journals High-pressure structural phase transition inMnWO4

2015 ◽  
Vol 91 (10) ◽  
Author(s):  
J. Ruiz-Fuertes ◽  
A. Friedrich ◽  
O. Gomis ◽  
D. Errandonea ◽  
W. Morgenroth ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Structural Phase Transition ◽  
Structural Phase

Structural phase transition in Bi2Te3 under high pressure

2009 ◽  
Vol 29 (2) ◽  
pp. 245-249 ◽  
Author(s):  
A. Nakayama ◽  
M. Einaga ◽  
Y. Tanabe ◽  
S. Nakano ◽  
F. Ishikawa ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Structural Phase Transition ◽  
Structural Phase
Sign in / Sign up

Export Citation Format

Share Document