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Magnetic properties of 3d transition metals adsorbed on benzene: a density functional theory study

โœ Scribed by Sargolzaei, Mahdi; Gudarzi, Farideh

Book ID
120223450
Publisher
Institute of Physics
Year
2010
Tongue
English
Weight
422 KB
Volume
248
Category
Article
ISSN
1742-6588

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โœ Wu, Ping; Cao, Gengyu; Tang, Fuling; Huang, Min ๐Ÿ“‚ Article ๐Ÿ“… 2014 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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