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

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

doi:10.1016/S0378-4371(00)00233-8

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 journal › Article › peer-review

37 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 language	English
Pages (from-to)	392-396
Number of pages	5
Journal	Physica A: Statistical Mechanics and its Applications
Volume	285
Issue number	3
DOIs	https://doi.org/10.1016/S0378-4371(00)00233-8
Publication status	Published - Oct 1 2000
Externally published	Yes

ASJC Scopus subject areas

Statistics and Probability
Condensed Matter Physics

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10.1016/S0378-4371(00)00233-8

Cite this

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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.",

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AU - Amrane, N.

AU - Nabi, Z.

AU - Abbar, B.

AU - Aourag, H.

PY - 2000/10/1

Y1 - 2000/10/1

N2 - 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.

AB - 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.

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ER -

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

Abstract

ASJC Scopus subject areas

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