First-principles studies on electronic structures of superatomic compounds [Co6Se8(PMe3)6][C60] in several cubic structures
Structural features, electronic structures, and optical properties of superatomic compounds [Co6Se8(PMe3)6][C60] with rock-salt, cesium chloride, and zinc-blende structures were investigated from first principles. Partial electronic density of states, highest occupied molecular orbital, and lowest u...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2019-12-01
|
| Series: | Results in Physics |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379719321862 |