Ab initiocalculations ofCaCu3Ti4O12under high pressure: Structural and electronic properties

2005 ◽  
Vol 72 (1) ◽  
Author(s):  
Solange B. Fagan ◽  
A. G. Souza Filho ◽  
A. P. Ayala ◽  
J. Mendes Filho
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
Structural And Electronic Properties

Structural and electronic properties of wurtzite, zincblende and rocksalt Al1 − xInxN ternary alloys at ambient and high pressure

2018 ◽  
Vol 91 (12) ◽  
pp. 1232-1245
Author(s):  
Abdelhakim Meziani ◽  
Lemia Semra ◽  
Azzedine Telia ◽  
Hilmi Ünlü ◽  
Abdul-Rahman Allouche
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
Ternary Alloys ◽  
Structural And Electronic Properties

COMPARATIVE STUDY OF THE STRUCTURAL AND ELECTRONIC PROPERTIES OF BN(5, 5) AND C(5, 5) NANOTUBES UNDER PRESSURE

2010 ◽  
Vol 24 (24) ◽  
pp. 4851-4859
Author(s):  
KAIHUA HE ◽  
GUANG ZHENG ◽  
GANG CHEN ◽  
QILI CHEN ◽  
MIAO WAN ◽  
...  
Keyword(s):  
High Pressure ◽  
Comparative Study ◽  
Charge Density ◽  
Band Gap ◽  
Electronic Properties ◽  
Cross Section ◽  
First Principles ◽  
First Principles Calculations ◽  
Zinc Blende ◽  
Structural And Electronic Properties

The structural and electronic properties of BN(5, 5) and C(5, 5) nanotubes under pressure are studied by using first principles calculations. In our study range, BN(5, 5) undergoes obvious elliptical distortion, while for C(5, 5) the cross section first becomes an ellipse and then, under further pressure, is flattened. The band gap of BN(5, 5) decreases with increasing pressure, which is inverse to that of zinc blende BN, whereas for C(5, 5) the metallicity is always preserved under high pressure. The population of charge density indicates that intertube bonding is formed under pressure. We also find that BN(5, 5) may collapse, and a new polymer material based on C(5, 5) is formed by applying pressure.

Exploring high-pressure FeB2: Structural and electronic properties predictions

2016 ◽  
Vol 678 ◽  
pp. 109-112 ◽  
Author(s):  
Ismail Harran ◽  
Hongyan Wang ◽  
Yuanzheng Chen ◽  
Mingzhen Jia ◽  
Nannan Wu
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
Structural And Electronic Properties

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

Evolution of Structural and Electronic Properties of TiSe2 under High Pressure

2021 ◽  
Vol 12 (40) ◽  
pp. 9859-9867
Author(s):  
H. Saqib ◽  
S. Rahman ◽  
Yongsheng Zhao ◽  
C. Cazorla ◽  
D. Errandonea ◽  
...  
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
Structural And Electronic Properties

Structural and electronic properties of ZnO under high pressure

2009 ◽  
Vol 476 (1-2) ◽  
pp. 306-310 ◽  
Author(s):  
Shouxin Cui ◽  
Wenxia Feng ◽  
Haiquan Hu ◽  
Zhenbao Feng ◽  
Yuanxu Wang
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
Structural And Electronic Properties
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