Electronic structure and binding mechanism of Cu2O
β Scribed by P. Marksteiner; P. Blaha; K. Schwarz
- Book ID
- 112511233
- Publisher
- Springer
- Year
- 1986
- Tongue
- English
- Weight
- 770 KB
- Volume
- 64
- Category
- Article
- ISSN
- 1434-6036
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π SIMILAR VOLUMES
We have performed local-density-functional band-structure calculations for a new high-To superconducting phase, YBa2Cu4Oa. General characteristics in the energy band are quite similar to those of YBa2CusOT. We have found a noticeable energy-level lowering of oxygen p-states at the chain and apex sit
The electronic structure of the ground state and the doublet excited states due to 3d Βͺ 3d transitions and charge-transfer transitions from ligand to copper of Ε½ . 2 q Cu H O are investigated by ab initio calculations. The excited states corresponding to 2 6 the 3d Βͺ 3d transitions are calculated to