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Ab initio calculations of neutral and charged impurity centers of manganese and chromium in strontium titanate

✍ Scribed by O. E. Kvyatkovskii

Book ID
114992649
Publisher
SP MAIK Nauka/Interperiodica
Year
2012
Tongue
English
Weight
226 KB
Volume
54
Category
Article
ISSN
1063-7834

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Under generalized gradient approximation (GGA), geometrical structure, size dependence of stability and electronic properties of neutral Mg n , singly charged cationic Mg n + and singly charged anionic Mg n Γ€ clusters consisting of up to 11 atoms have been studied systematically by ab initio method