Description of structural and electronic properties of TiC and ZrC by generalized gradient approximation

S. Méçabih, N. Amrane, Z. Nabi, B. Abbar, H. Aourag

Research output: Contribution to journalArticlepeer-review

33 Citations (Scopus)

Abstract

We have studied structural, elastic and optical properties of TiC and ZrC by means of accurate first-principles total energy calculations using the full potential-linear augmented plane wave. The calculations are based on the density functional theory and we have used the generalized gradient approximation. The results are compared with previous calculation and with experimental measurements.

Original languageEnglish
Pages (from-to)392-396
Number of pages5
JournalPhysica A: Statistical Mechanics and its Applications
Volume285
Issue number3
DOIs
Publication statusPublished - Oct 1 2000
Externally publishedYes

ASJC Scopus subject areas

  • Statistics and Probability
  • Condensed Matter Physics

Fingerprint

Dive into the research topics of 'Description of structural and electronic properties of TiC and ZrC by generalized gradient approximation'. Together they form a unique fingerprint.

Cite this