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Magnetic properties of oxidation products of phthalocyanine complexes with metal chlorides with electron acceptor properties

✍ Scribed by Alfreda Graczyk; Ewa Białkowskia


Publisher
Elsevier Science
Year
1978
Tongue
French
Weight
393 KB
Volume
34
Category
Article
ISSN
0040-4020

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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