Electronic structure of chain-like polystannane
β Scribed by Kyozaburo Takeda; Kenji Shiraishi
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 337 KB
- Volume
- 195
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
The electronic structure of polystannane (PSn), (SnH2)n, has been calculated by the first principle local density functional method. The effect of bond-angle distortion on PSn's first band gap is also investigated theoretically. The common features in the group IV polymers are then summarized by comparison with previous calculated results for polysilane (Sill2)n and polygermane (GeH2)~.
π SIMILAR VOLUMES
Calculations arc rcportcd of the clcctronic band structure of model polydiacctylcnc extcndcd chains, with the lake side groups rcprcscntcd by II or C=C-H, using the cxtcndcd MuLkcl llncar combmation of atomic orbit& approximation. PCCdictcd band gap widths arc in good aprccmcnt with the results of a