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
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
Copyright (published version): 2009 Elsevier
Keywords: N dopant;SnO2;Ferromagnetic;Coupling mechanism
Subject LCSH: Doped semiconductors
Stannic oxide
Ferromagnetism
Magnetic couplings
DOI: 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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