Title of article
First principles calculations of magnetic properties of Rh-doped SnO2(1 1 0) surfaces
Author/Authors
F. Bouamra، نويسنده , , A. Boumeddiene، نويسنده , , M. Rérat، نويسنده , , H. Belkhir، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2013
Pages
4
From page
41
To page
44
Abstract
The magnetic properties of Rh-doped SnO2(1 1 0) surface over a range of atomic Rh/Sn ratio from 9.09% to 26.31% have been calculated using a density functional theory (DFT) at the B3LYP level, as well as the spin-polarized total and projected density of states (DOS) of Rh atoms nearest-neighboring O and next-nearest neighboring Sn ions. An analysis of Mulliken population has been also done at the surface of SnO2 in presence of the defects.
Keywords
Density functional calculations , Ferromagnetic , Magnetic moment , Transition metal , Rh-doped SnO2(1 1 0)
Journal title
Applied Surface Science
Serial Year
2013
Journal title
Applied Surface Science
Record number
1006684
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