Surface relaxation of the (1010) face of wurtzite CdS
Research output: Contribution to journal › Article › Scientific › peer-review
Details
| Original language | English |
|---|---|
| Pages (from-to) | 77-82 |
| Number of pages | 6 |
| Journal | Surcface Science |
| Volume | 352-354 |
| DOIs | |
| Publication status | Published - 15 May 1996 |
| Externally published | Yes |
| Publication type | A1 Journal article-refereed |
Abstract
Atomic geometry and electronic density of states of the wurtzite CdS (1010) cleavage surface have been calculated. Calculations were carried out with two different self-consistent ab initio LDA methods leading to similar results. Surface relaxation is found to be strong: cations relax towards bulk and anions outwards from the surface. This is in accordance with experimental observations and other published calculations.
ASJC Scopus subject areas
Keywords
- Cadmium sulphide, Density-functional calculation, Semiconducting surfaces, Single crystal surfaces, Surface electronic phenomena, Surface relaxation and reconstruction