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
收藏
页码：973 / 980
页数：8
相关论文
共 50 条
  • [1] BAND STRUCTURE AND PRESSURE-INDUCED ELECTRONIC TRANSITIONS IN CALCIUM
    MCCAFFREY, JW
    PAPACONSTANTOPOULOS, DA
    ANDERSON, JR
    SOLID STATE COMMUNICATIONS, 1970, 8 (24) : 2109 - +
  • [2] Origin of pressure-induced band gap tuning in tin halide perovskites
    Coduri, Mauro
    Shiell, Thomas B.
    Strobel, Timothy A.
    Mahata, Arup
    Cova, Federico
    Mosconi, Edoardo
    De Angelis, Filippo
    Malavasi, Lorenzo
    MATERIALS ADVANCES, 2020, 1 (08): : 2840 - 2845
  • [3] Pressure-induced band-gap energy increase in a metal iodate
    Liang, Akun
    Shi, Lan-Ting
    Turnbull, Robin
    Javier Manjon, Francisco
    Ibanez, Jordi
    Popescu, Catalin
    Jasmin, M.
    Singh, Jaspreet
    Venkatakrishnan, Kanchana
    Vaitheeswaran, Ganapathy
    Errandonea, Daniel
    PHYSICAL REVIEW B, 2022, 106 (23)
  • [4] PRESSURE-INDUCED TRANSITION IN GAP
    ONODERA, A
    ISHIZAKI, K
    KAWAI, N
    SPAIN, IL
    REVIEW OF PHYSICAL CHEMISTRY OF JAPAN, 1975, : 167 - 170
  • [5] Pressure-Induced Changes in the Structure and Band Gap of CsGeX3 (X = Cl, Br) Studied by Electronic Band Structure Calculations
    Seo, D.-K.
    Gupta, N.
    Whangbo, M.-H.
    Hillebrecht, H.
    Inorganic Chemistry, 37 (03):
  • [6] Pressure-induced changes in the structure and band gap of CsGeX3 (X = Cl, Br) studied by electronic band structure calculations
    Seo, DK
    Gupta, N
    Whangbo, MH
    Hillebrecht, H
    Thiele, G
    INORGANIC CHEMISTRY, 1998, 37 (03) : 407 - 410
  • [7] Pressure-induced effects on the structure of the FeSe superconductor
    Millican, Jasmine N.
    Phelan, Daniel
    Thomas, Evan L.
    Leao, Juscelino B.
    Carpenter, Elisabeth
    SOLID STATE COMMUNICATIONS, 2009, 149 (17-18) : 707 - 710
  • [8] Pressure-induced effects on the structure of the FeSe superconductor
    Millican, Jasmine N.
    Phelan, Daniel
    Thomas, Evan L.
    Leao, Juscelino
    Carpenter, Elisabeth
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 238
  • [9] Pressure-Induced Optical Band Gap Transition in Methylammonium Lead Halide Perovskites
    Mirershadi, Soghra
    Sattari, Farhad
    Sorkhabi, Shahla Golghasemi
    Shokri, Amir Masoud
    JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 123 (19): : 12423 - 12428
  • [10] Pressure-induced phase transition and band-gap collapse in the wide-band-gap semiconductor InTaO4
    Errandonea, D.
    Popescu, C.
    Garg, A. B.
    Botella, P.
    Martinez-Garcia, D.
    Pellicer-Porres, J.
    Rodriguez-Hernandez, P.
    Munoz, A.
    Cuenca-Gotor, V.
    Sans, J. A.
    PHYSICAL REVIEW B, 2016, 93 (03)
12345