Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5457328 | Solid State Communications | 2017 | 4 Pages |
Abstract
The electronic structures and ferromagnetism for bulk and surface CdS with CS defects are investigated by the full potential linearized augmented plane wave method together with the modified Becke-Johnson potential. Calculations show bulk and surface CdS with CS defects are half-metallic ferromagnet. Each CS defect could produce the total magnetic moment of 2.00 µB. Electronic structures indicate the stable ferromagnetism could be attributed to the p-d exchange-like p-p coupling mechanism. Sulfur vacancies would give rise to the magnetism vanishing. For the nonpolar (101¯0) surfaces, the CS defects prefer to occupy the surface layer sites.
Related Topics
Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
X.N. Huang, S.W. Fan, L.Q. Pan,