Abstract
The behaviours of LiH under high pressure and high temperature are studied using first-principles calculation. We have studied the pressure dependence of the electronic energy band gap as well as possible insulator-metal phase transition. We have calculated temperature, heat capacity, and equation-of-state along the principal Hugoniot. The calculated results agree well with the experiments.
Original language | English (US) |
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Pages (from-to) | 470-473 |
Number of pages | 4 |
Journal | Physica Status Solidi (B) Basic Research |
Volume | 235 |
Issue number | 2 |
DOIs | |
State | Published - Feb 2003 |
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics