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 | |
| Publication status | Published - 10 Apr 2013 |
| Externally published | Yes |
Keywords
- band structure
- DFT
- hydrostatic pressure
- Lithium fluoride
- optical properties
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