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 journalArticleResearchpeer-review

16 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 languageEnglish
Article number1350061
JournalModern Physics Letters B
Volume27
Issue number9
DOIs
Publication statusPublished - 10 Apr 2013
Externally publishedYes

Keywords

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

Cite this