Density functional theory description of the mechanism of ferromagnetism in nitrogen-doped SnO2
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|Title:||Density functional theory description of the mechanism of ferromagnetism in nitrogen-doped SnO2||Authors:||Long, Run
English, Niall J.
|Permanent link:||http://hdl.handle.net/10197/2711||Date:||28-Dec-2009||Online since:||2011-01-13T15:04:56Z||Abstract:||Based on first-principles calculations, we have studied the occurrence of spin polarization in the magnetic metal oxide SnO2 doped with nonmagnetic nitrogen (N) impurities. It was found that the local magnetic moments are localized mainly on the N dopant, causing a total moment of 0.95μB per cell. The long-range magnetic coupling of N-doped SnO2 may be attributed to a p-p coupling interaction between the N impurity and host valence states.||Funding Details:||Science Foundation Ireland
Irish Research Council for Science, Engineering and Technology
|Type of material:||Journal Article||Publisher:||Elsevier||Journal:||Physics Letters A||Volume:||374||Issue:||2||Start page:||319||End page:||322||Copyright (published version):||2009 Elsevier||Keywords:||N dopant; SnO2; Ferromagnetic; Coupling mechanism||Subject LCSH:||Doped semiconductors
|DOI:||10.1016/j.physleta.2009.10.036||Other versions:||http://dx.doi.org/10.1016/j.physleta.2009.10.036||Language:||en||Status of Item:||Peer reviewed|
|Appears in Collections:||Solar Energy Conversion (SEC) Cluster Research Collection|
Chemical and Bioprocess Engineering Research Collection
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