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Study on the electronic structures and the optical properties of the Mg-doped LiBaF3 crystal

โœ Scribed by Hailing Qiao; Tingyu Liu; Qiren Zhang; Fang Cheng; Xiuwen Zhou


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
198 KB
Volume
405
Category
Article
ISSN
0921-4526

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Effect of La doping on the electronic st
โœ S.H. Deng; M.Y. Duan; M. Xu; L. He ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 446 KB

The electronic structure and optical properties of ZnO doped with La have been investigated using density functional theory based on first-principles ultrasoft pseudopotential method. The calculated results show that the La doping increases the bandgap of ZnO, in agreement with the experimental resu