First-Principles Study on the Structural and Magnetic Properties of Iron Hydride
β Scribed by Tsumuraya, Takao; Matsuura, Yasuyuki; Shishidou, Tatsuya; Oguchi, Tamio
- Book ID
- 120536815
- Publisher
- Institute of Pure and Applied Physics
- Year
- 2012
- Tongue
- English
- Weight
- 917 KB
- Volume
- 81
- Category
- Article
- ISSN
- 0031-9015
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract The structural, electronic, and magnetic properties of Fe nanowire encapsulated in zigzag CNTs have been investigated systematically using the firstβprinciples PAW potential within DFT under GGA. Among the seven Feβencapsulated C cables, only the (8,0) nanocable is formed endothermicall
Electronic structures of Mg 1-x Cr x O (x = 0, 0.25, 0.5, 0.75) were investigated based on first-principles calculations using generalized gradient approximation (GGA) and GGA + U. Different magnetic and electronic properties are predicted from the calculated spin-dependent density of states near th