Comparison of band-structure-calculation and ESR measurement of CePd3
✍ Scribed by J. Sticht; M. Schlott; J. Kübler; B. Elschner
- Book ID
- 113314748
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 135 KB
- Volume
- 76-77
- Category
- Article
- ISSN
- 0304-8853
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📜 SIMILAR VOLUMES
Because of inconsistencies in literature data, the crystal structure of ZrTe 3 was redetermined from single-crystal data and the electronic band structure was calculated using density functional theory in the local density approximation (LDA) and the linear muffin tin orbital method (LMTO). ZrTe 3 c
## Abstract In the present paper, the band structures of valence‐band and conduction‐band for polyacetylene and Lidoped polyacetylene were calculated by LCAO‐SCF ab initio crystal orbital (CO) method. The influences of doping on the geometric structures, the band structures, and the changes of atom