Electronic and Lattice Vibrational Properties of Cubic SrHfO3from First-Principles Calculations
โ Scribed by A. Yangthaisong
- Book ID
- 107457425
- Publisher
- Springer US
- Year
- 2011
- Tongue
- English
- Weight
- 429 KB
- Volume
- 41
- Category
- Article
- ISSN
- 0361-5235
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
We present first-principles investigations on the structural and elastic properties of the cubic perovskite BaRuO 3 using density-functional theory within both local density approximation (LDA) and generalized gradient approximation (GGA). Basic physical properties, such as lattice constant, shear m
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