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Electronic and magnetic properties of transition metal doped MgO sheet: A density-functional study

✍ Scribed by Wu, Ping; Cao, Gengyu; Tang, Fuling; Huang, Min

Book ID
122115302
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
999 KB
Volume
86
Category
Article
ISSN
0927-0256

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Electronic and magnetic properties of tr
Electronic and magnetic properties of transition metal doped MgO sheet: A density-functional study
✍ Wu, Ping; Cao, Gengyu; Tang, Fuling; Huang, Min πŸ“‚ Article πŸ“… 2014 πŸ› Elsevier Science 🌐 English βš– 999 KB

The stable geometries, electronic and magnetic properties of MgO sheets with Mg atom substituted by 3d transition metals (TM) (Mn, Fe, Co, and Ni) were investigated by First-principles calculations. The atomic structures of Co-and Ni-doped MgO sheets undergo larger distortions than those of Mn-and F