First principles electronic structure calculations of Co2CrBi Heusler system
✍ Scribed by Gökhan Gökog˘lu
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 234 KB
- Volume
- 405
- Category
- Article
- ISSN
- 0921-4526
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📜 SIMILAR VOLUMES
Electronic structure and optical properties of CuGaS 2 are calculated using the full potential linearized augmented plane wave plus local orbitals method. The calculated equilibrium lattice is in reasonable agreement with the experimental data. The electronic structures indicate that CuGaS 2 is a se
## Abstract We use ab‐initio calculations based on the augmented spherical wave method within density functional theory to study the magnetic ordering and Fermi surface of BaFe~2~As~2~, the parent compound of the hole‐doped iron pnictide superconductors (K,Ba)Fe~2~As~2~, for the tetragonal __I4/mmm