The host Ga n ΓΎ 1 and doped Ga n Nb (n ΒΌ 1-9) clusters with several spin configurations have been systematically investigated by a relativistic density functional theory (DFT) with the generalized gradient approximation. The optimized equilibrium geometries tend to prefer the close-packed configurat
Ferromagnetic properties of Cu-doped ZnS: A density functional theory study
β Scribed by Huiyu Yan; Yuqi Li; Yanrui Guo; Qinggong Song; Yifei Chen
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 518 KB
- Volume
- 406
- Category
- Article
- ISSN
- 0921-4526
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