Electronic and structural properties of zinc chalcogenides ZnX (X=S, Se, Te)

被引：78

作者：

Gangadharan, R

Jayalakshmi, V

Kalaiselvi, J

Mohan, S

Murugan, R

Palanivel, B ^{[1
]}

机构：

[1] Pondicherry Engn Coll, Dept Phys, Pondicherry 605014, India

[2] Asian Inst Med Sci & Technol, Dept Mat Sci, Kedah Darul Aman 08000, Malaysia

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2003年 / 359卷 / 1-2期

关键词：

semiconductors; phase transition; high pressure; electronic structure; electronic band structure;

D O I：

10.1016/S0925-8388(03)00188-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The structural phase transformations of ZnS, ZnSe and ZnTe under high pressure are studied by tight binding linear muffin tin orbital (TB-LMTO) method. A simple cubic 16 (SC16) phase is observed in all three zinc chalcogenides ZnX (X=S, Se, Te) and the stability of the high pressure phases is also presented. In ZnS and ZnSe, the sequence of transformation is similar to zincblende (ZB)-->SC16-->rock salt (RS), but in ZnTe the transformation sequence is different, namely the SC16 phase is observed above the cinnabar phase. The ground state properties of the phases of zinc chalcogenides ZnX (X=S, Se, Te) are also calculated. (C) 2003 Elsevier B.V. All rights reserved.

引用

页码：22 / 26

页数：5

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