Stability and electronic structure of the low-Σ grain boundaries in CdTe: a density functional study

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...

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Bibliographic Details
Main Authors: Ji-Sang Park, Joongoo Kang, Ji-Hui Yang, Wyatt Metzger, Su-Huai Wei
Format: Article
Language:English
Published: IOP Publishing 2015-01-01
Series:New Journal of Physics
Subjects:
grain bondaries
II-VI semiconductors
impurity and defect levels in semiconductors
radiation effects in semiconductors
61.72.Mm 61.72.uj 61.82.Fk 71.55.Gs
Online Access:https://doi.org/10.1088/1367-2630/17/1/013027

Internet

https://doi.org/10.1088/1367-2630/17/1/013027

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