Phase transition and electronic properties of fluorene: A joint experimental and theoretical high-pressure study

2006 ◽  
Vol 73 (2) ◽  
Author(s):  
Georg Heimel ◽  
Kerstin Hummer ◽  
Claudia Ambrosch-Draxl ◽  
Withoon Chunwachirasiri ◽  
Michael J. Winokur ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Electronic Properties ◽  
High Pressure Study

scholarly journals High-pressure study of the magnetic phase transition in MnSi

2009 ◽  
Vol 79 (10) ◽  
Author(s):  
Alla E. Petrova ◽  
Vladimir N. Krasnorussky ◽  
T. A. Lograsso ◽  
Sergei M. Stishov
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Magnetic Phase Transition ◽  
Magnetic Phase ◽  
High Pressure 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.

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 study of structural and electronic properties of magnesium telluride

2006 ◽  
Vol 67 (8) ◽  
pp. 1668-1673 ◽  
Author(s):  
D. Rached ◽  
M. Rabah ◽  
R. Khenata ◽  
N. Benkhettou ◽  
H. Baltache ◽  
...  
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
Structural And Electronic Properties ◽  
High Pressure Study

High-pressure study of the structural phase transition in Cu1.875Te

2021 ◽  
Vol 186 ◽  
pp. 110020
Author(s):  
Liang Ma ◽  
Jinqun Cai ◽  
Yingying Wang ◽  
Mi Zhou ◽  
Guangtao Liu ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
High Pressure Study
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