Stability and electronic structure of the low-Σ grain boundaries in CdTe: a density functional study
Using first-principles density functional calculations, we investigate the relative stability and electronic structure of the grain boundaries (GBs) in zinc-blende CdTe. Among the low- Σ -value symmetric tilt Σ 3 (111), Σ 3 (112), Σ 5 (120), and Σ 5 (130) GBs, we show that the Σ 3 (111) GB is always...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2015-01-01
|
| Series: | New Journal of Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/1367-2630/17/1/013027 |