scholarly journals Comparative study of hybrid functionals applied to structural and electronic properties of semiconductors and insulators

2011 ◽  
Vol 84 (7) ◽  
Author(s):  
Yu-ichiro Matsushita ◽  
Kazuma Nakamura ◽  
Atsushi Oshiyama
Keyword(s):  
Comparative Study ◽  
Electronic Properties ◽  
Structural And Electronic Properties ◽  
Hybrid Functionals

scholarly journals Comparative study of structural and electronic properties of GaSe and InSe polytypes

2018 ◽  
Vol 149 (5) ◽  
pp. 054106 ◽  
Author(s):  
Juliana Srour ◽  
Michael Badawi ◽  
Fouad El Haj Hassan ◽  
Andrei Postnikov
Keyword(s):  
Comparative Study ◽  
Electronic Properties ◽  
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.

Structural and electronic properties of hydrogen adsorptions on BC3sheet and graphene: a comparative study

2011 ◽  
Vol 22 (13) ◽  
pp. 135703 ◽  
Author(s):  
Feng-Chuan Chuang ◽  
Zhi-Quan Huang ◽  
Wen-Huan Lin ◽  
Marvin A Albao ◽  
Wan-Sheng Su
Keyword(s):  
Comparative Study ◽  
Electronic Properties ◽  
Structural And Electronic Properties

scholarly journals Comparative study of structural and electronic properties of Cu-based multinary semiconductors

2011 ◽  
Vol 84 (7) ◽  
Author(s):  
Yubo Zhang ◽  
Xun Yuan ◽  
Xiudong Sun ◽  
Bi-Ching Shih ◽  
Peihong Zhang ◽  
...  
Keyword(s):  
Comparative Study ◽  
Electronic Properties ◽  
Structural And Electronic Properties
Sign in / Sign up

Export Citation Format

Share Document