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Magnetic properties of point defects in iron within the tight-binding-bond Stoner model

Abstract:

The tight-binding Stoner model of band magnetism is generalized to account for local charge neutrality by working within the tight-binding-bond (TBB) representation of the binding energy. We show that the analytic forces within this TBB Stoner model take a very simple form because neither the renormalization in the on-site energies due to local charge neutrality nor the change in local magnetic moments due to atomic displacement enters explicitly. This d band TBB Stoner model is found to repr...

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Publication status:
Published

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Publisher copy:
10.1103/PhysRevB.71.174115

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Institution:
University of Oxford
Division:
MPLS
Department:
Materials
Role:
Author
Journal:
Physical Review B
Volume:
71
Issue:
17
Publication date:
2005-05-01
DOI:
EISSN:
1550-235X
ISSN:
1098-0121
Source identifiers:
12379
Language:
English
Pubs id:
pubs:12379
UUID:
uuid:49421e01-ca76-467d-b3dc-44a3e4db83d1
Local pid:
pubs:12379
Deposit date:
2012-12-19

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