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Effect of Li and Na impurities on the electronic and magnetic properties of beryllium oxide

✍ Scribed by M. A. Gorbunova; I. R. Shein; Yu. N. Makurin; V. S. Kijko; A. L. Ivanovskii


Book ID
106428046
Publisher
SP MAIK Nauka/Interperiodica
Year
2010
Tongue
English
Weight
111 KB
Volume
51
Category
Article
ISSN
0022-4766

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Electronic and magnetic properties of be
✍ M.A. Gorbunova; I.R. Shein; Yu.N. Makurin; V.S. Kiiko; A.L. Ivanovskii πŸ“‚ Article πŸ“… 2007 πŸ› Elsevier Science 🌐 English βš– 233 KB

The ab initio VASP-PAW method with the generalized gradient approximation (GGA) has been applied to predict the electronic and magnetic properties of wurtzite-like beryllium oxide (BeO) doped with all 3d metals. Adding of 3d metal ions into BeO transforms the initial non-magnetic insulator BeO into