First-principles lattice dynamical study of lanthanum nitride under pseudopotential approximation
β Scribed by Sanjay D. Gupta; Sanjeev K. Gupta; Prafulla K. Jha
- Book ID
- 116375757
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 897 KB
- Volume
- 49
- Category
- Article
- ISSN
- 0927-0256
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π SIMILAR VOLUMES
An ab initio pseudopotential plane wave method using linear response approach has been employed to study the lattice dynamics of two cubic antiperovskites AsNBa 3 and SbNBa 3 . The bulk properties, elastic constants, phonon dispersion curves, phonon density of states and temperature dependent thermo
A first-principles pseudopotential method is used to investigate the structural and elastic properties of ScAs and ScSb in their ambient B1(NaCl) and in high pressure B2 (CsCl) phases and phonon structures at zero and close to phase transition pressure. The calculated lattice constants, static bulk