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Magnetic properties of single 3d transition metals adsorbed on graphene and benzene: A density functional theory study

โœ Scribed by Sargolzaei, Mahdi; Gudarzi, Farideh

Book ID
120791698
Publisher
American Institute of Physics
Year
2011
Tongue
English
Weight
829 KB
Volume
110
Category
Article
ISSN
0021-8979

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