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.
|Number of pages||5|
|Journal||Physica A: Statistical Mechanics and its Applications|
|Publication status||Published - Oct 1 2000|
ASJC Scopus subject areas
- Statistics and Probability
- Condensed Matter Physics