LiH under high pressure and high temperature: A first-principles study

Yi Wang, R. Ahuja, B. Johansson

Research output: Contribution to journalArticle

15 Citations (Scopus)

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 languageEnglish (US)
Pages (from-to)470-473
Number of pages4
JournalPhysica Status Solidi (B) Basic Research
Volume235
Issue number2
DOIs
StatePublished - Feb 1 2003

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Equations of state
Band structure
pressure dependence
Specific heat
energy bands
Energy gap
equations of state
Phase transitions
Metals
insulators
specific heat
Temperature
thermodynamics
temperature
electronics
metals
Experiments

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

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LiH under high pressure and high temperature : A first-principles study. / Wang, Yi; Ahuja, R.; Johansson, B.

In: Physica Status Solidi (B) Basic Research, Vol. 235, No. 2, 01.02.2003, p. 470-473.

Research output: Contribution to journalArticle

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