Electronic and magnetic properties of be
β
M.A. Gorbunova; I.R. Shein; Yu.N. Makurin; V.S. Kiiko; A.L. Ivanovskii
π
Article
π
2007
π
Elsevier Science
π
English
β 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