Surface relaxation of the (1010) face of wurtzite CdS
Research output: Contribution to journal › Article › Scientific › peer-review
|Number of pages||6|
|Publication status||Published - 15 May 1996|
|Publication type||A1 Journal article-refereed|
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.