Density functional theory description of the mechanism of ferromagnetism in nitrogen-doped SnO2
β Scribed by Run Long; Niall J. English
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 615 KB
- Volume
- 374
- Category
- Article
- ISSN
- 0375-9601
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Magnetic properties of Cr-doped SnO 2 and the effects of oxygen vacancy (V O ) on the magnetic properties are examined to understand the origin of ferromagnetism in Cr-doped SnO 2 and explain the observed discrepant phenomena. Cr-doped SnO 2 shows a p-d hopping ferromagnetic interaction that decreas
On the basis of the adiabatic connection formula we propose several approximations for the total correlation energy functional, which, in the limit of two separated neutral subsystems, correctly reproduce the van der Waals R y6 behavior. We have calculated the corresponding van der Waals coefficient