First-principles study of the structural and thermodynamic properties of AsNMg3 antiperovskite

The structural and elastic properties of the antiperovskite semiconductor AsNMg3 are investigated using the full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method within the generalized gradient in the frame of the density functional theory. The ground state properties...

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Bibliographic Details
Published in:	Physica. B, Condensed matter Vol. 403; no. 17; pp. 2649 - 2653
Main Authors:	BELAROUSSI, Tayeb, BENMESSABIH, Tounsi, HAMDACHE, Fatima, AMRANI, Bouhalouane
Format:	Journal Article
Language:	English
Published:	Amsterdam Elsevier 01-08-2008
Subjects:	Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Elasticity, elastic constants Electron states Exact sciences and technology Mechanical and acoustical properties of condensed matter Mechanical properties of solids Methods of electronic structure calculations Physics Thermal properties of condensed matter Thermal properties of crystalline solids Arsenic Nitrides Elastic modulus Semiconductor materials 65.40.-b Ground states Elasticity FP-LAPW Debye approximation Lattice parameters APW calculations Antiperovskite compounds Specific heat Magnesium Nitrides 71.15.Mb Thermal expansion coefficient Density functional method 71.15.Ap Quasi-harmonic Debye model Thermodynamic properties Bulk modulus
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