The electronic structures of perfect LiYF 4 and the LiYF 4 containing lithium vacancy V Li ร with the lattice structure optimized are studied within the framework of the density functional theory. By analyzing the lattice relaxation and electronic structure of the LiYF 4 containing V Li ร we can rea
โฆ LIBER โฆ
Ab initio study electronic structures of LiYF4 crystal containing interstitial oxygen atoms
โ Scribed by Jigang Yin; Qiren Zhang; Tingyu Liu; Xiaofeng Guo; Min Song; Xien Wang; Haiyan Zhang
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 206 KB
- Volume
- 267
- Category
- Article
- ISSN
- 0168-583X
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