SHIFT OF BAND GAP FROM DIRECT TO INDIRECT AND OPTICAL RESPONSE OF LiF UNDER PRESSURE

被引：17

作者：

Sajid, A. ^{[1
]}

Murtaza, G. ^{[2
]}

Reshak, A. H. ^{[3
,4
]}

机构：

[1] GC Univ Faisalabad, Dept Phys, Faisalabad 38000, Pakistan

[2] Islamia Coll Univ, Dept Phys, Peshawar, KPK, Pakistan

[3] Univ South Bohemia CB, Inst Complex Syst, FFPW, CENAKVA, Nove Hrady 37333, Czech Republic

[4] Malaysia Univ Perlis, Sch Mat Engn, Kangar 01007, Perlis, Malaysia

来源：

MODERN PHYSICS LETTERS B | 2013年 / 27卷 / 09期

关键词：

Lithium fluoride; DFT; hydrostatic pressure; band structure; optical properties;

D O I：

10.1142/S0217984913500619

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We hereby are reporting the transition pressure at which lithium fluoride (LiF) compound transforms from direct band gap to indirect band gap insulator on the basis of FP-LAPW calculations. The fundamental band gap of LiF compound suffers direct to indirect transition at a pressure of 70 GPa. The study of the pressure effect on the optical properties e. g. dielectric function, reflectivity, refractive index and optical conductivity of LiF in the pressure between 0-100 GPa, shows that this pressure range is very critical for LiF compound as there are significant changes in the optical properties of this compound.

引用

页数：9

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