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A density functional study of structural and elastic properties of LaN under high pressure

โœ Scribed by A. Gueddim; N. Fakroun; N. Bouarissa; A. Villesuzanne

Book ID
113783332
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
410 KB
Volume
118
Category
Article
ISSN
0254-0584

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The structural, electronic, bonding, and elastic properties of the low-temperature orthorhombic phase of NH 3 BH 3 are studied by means of first-principles total energy calculations based on the pseudopotential method. The calculated structural parameters of NH 3 BH 3 are found to be in good agreeme