Effects of oxygen vacancy on the magnetic properties of Cr-doped SnO2: Density functional investigation
β Scribed by Wei Wei; Ying Dai; Meng Guo; Zhenkui Zhang; Baibiao Huang
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 679 KB
- Volume
- 183
- Category
- Article
- ISSN
- 0022-4596
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β¦ Synopsis
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 decreases gradually with the increase in Cr-Cr distance. In Cr-doped SnO 2 with V O , ferromagnetic interaction is obviously weakened. Exchange constants indicate that the ferromagnetic exchange interaction in Cr-doped SnO 2 is similar to that in Co-doped SnO 2 , while it is similar to that in Fe-doped SnO 2 and/or undoped SnO 2 with tin vacancy (V Sn ) in the presence of V O .
π SIMILAR VOLUMES
We have investigated the structural, magnetic, and electronic properties of SrRu 1-x Cr x O 3 , using firstprinciples density functional theory within the generalized gradient approximation (GGA) + U schemes. The entire series of SrRu 1-x Cr x O 3 (x = 0, 0.125, 0.25, 0.5) are stabilized in the pero
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