Lattice dynamics and elastic properties of Mg3As2 and Mg3Sb2 compounds from first-principles calculations
โ Scribed by Jun-ichi Tani; Masanari Takahashi; Hiroyasu Kido
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 916 KB
- Volume
- 405
- Category
- Article
- ISSN
- 0921-4526
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Studies of the lattice dynamics of La2CuO 4 and YBa2Cu307 using both a non-empirical ionic model and the linearized augmented plane wave (LAPW) method show that ionic contributions are important in the high temperature oxide superconductors. Preliminary frozen phonon calculations with the LAPW metho
The structural, electronic and thermodynamic properties of cubic Zn 3 N 2 under hydrostatic pressure up to 80 GPa are investigated using the local density approximation method with pseudopotentials of the ab initio norm-conserving full separable Troullier-Martin scheme in the frame of density functi