Shift of band gap from direct to indirect and optical response of lif under pressure

A. Sajid; G. Murtaza; A. H. Reshak

doi:10.1142/S0217984913500619

Shift of band gap from direct to indirect and optical response of lif under pressure

A. Sajid, G. Murtaza, A. H. Reshak

Research output: Contribution to journal › Article › Research › peer-review

17 Citations (Scopus)

Abstract

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.

Original language	English
Article number	1350061
Journal	Modern Physics Letters B
Volume	27
Issue number	9
DOIs	https://doi.org/10.1142/S0217984913500619
Publication status	Published - 10 Apr 2013
Externally published	Yes

Keywords

band structure
DFT
hydrostatic pressure
Lithium fluoride
optical properties

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10.1142/S0217984913500619

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abstract = "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.",

keywords = "band structure, DFT, hydrostatic pressure, Lithium fluoride, optical properties",

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N2 - 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.

AB - 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.

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KW - optical properties

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Shift of band gap from direct to indirect and optical response of lif under pressure

Abstract

Keywords

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