Title of article
Description of structural and electronic properties of TiC and ZrC by generalized gradient approximation
Author/Authors
S. Meçabih، نويسنده , , N. Amrane، نويسنده , , Z. Nabi، نويسنده , , B. Abbar، نويسنده , , H. Aourag، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2000
Pages
5
From page
392
To page
396
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.
Journal title
Physica A Statistical Mechanics and its Applications
Serial Year
2000
Journal title
Physica A Statistical Mechanics and its Applications
Record number
866755
Link To Document