Band structure and chemical bonding of GaP: pressure-induced effects

被引：3

作者：

Bouarissa, N. ^{[1
]}

Algarni, H. ^{[2
,3
]}

Mezrag, F. ^{[1
]}

Ajmal Khan, M. ^{[4
]}

机构：

[1] Univ Msila, Lab Mat Phys & Its Applicat, Msila, Algeria

[2] King Khalid Univ, Dept Phys, Fac Sci, Abha, Saudi Arabia

[3] King Khalid Univ, Res Ctr Adv Mat Sci RCAMS, Abha, Saudi Arabia

[4] Jamia Millia Islamia, Dept Phys, New Delhi, India

来源：

PHASE TRANSITIONS | 2020年 / 93卷 / 10-11期

关键词：

Electronic structure; charge distribution; chemical bonding; GaP; high-pressure; pseudopotential approach; III-V; CHARGE-DENSITIES; GROUP-IV; ELECTRONIC-PROPERTIES; EFFECTIVE MASSES; LATTICE PROPERTIES; HEAVY HOLES; SEMICONDUCTORS; DYNAMICS; VALENCE;

D O I：

10.1080/01411594.2020.1817452

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

We present a theoretical study on electronic structure and chemical trends of zinc-blende GaP under compression up to 100 kbar obtained from a pseudopotential approach calculations. The influence of high pressure on the features of interest has been examined and reported. The dynamics of chemical bonds in the compound in question is investigated by analyzing the profiles of the electron charge densities. Our findings show generally a good accord with experiment. The present study can contribute in the understanding of the pressure effects on the electronic properties and chemical bonding of GaP material.

引用

页码：973 / 980

页数：8

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