The structural and electronic properties of neutral cube-like MgO clusters comprising of 8, 18, 32, 48 and 64 atoms have been studied using density functional theory. Geometry optimization of all these stoichiometric clusters was done with C2v symmetry. The binding energy and the nearest-neighbor se
β¦ LIBER β¦
Density-functional theory study of structural and electronic properties of and clusters
β Scribed by Xue-Ling Lei; Wen-Jie Zhao; Gui-Xian Ge; Zhi Yang; Yu-Li Yan; You-Hua Luo
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 528 KB
- Volume
- 403
- Category
- Article
- ISSN
- 0921-4526
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