This title appears in the Scientific Report :
2010
Please use the identifier:
http://dx.doi.org/10.1103/PhysRevB.82.180404 in citations.
Please use the identifier: http://hdl.handle.net/2128/10965 in citations.
Mapping the magnetic exchange interactions from first principles: Anisotropy anomaly and application to Fe, Ni, and Co
Mapping the magnetic exchange interactions from first principles: Anisotropy anomaly and application to Fe, Ni, and Co
Mapping the magnetic exchange interactions from model Hamiltonian to density-functional theory is a crucial step in multiscale modeling calculations. Considering the usual magnetic force theorem but with arbitrary rotational angles of the spin moments, a spurious anisotropy in the standard mapping p...
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Personal Name(s): | Lounis, S. |
---|---|
Dederichs, P. H. | |
Contributing Institute: |
Quanten-Theorie der Materialien; IFF-1 Theorie der Strukturbildung; IFF-3 Quanten-Theorie der Materialien; IAS-1 |
Published in: | Physical Review B Physical review / B, 82 82 (2010 2010) 18 18, S. 180404 180404 |
Imprint: |
College Park, Md.
APS
2010
|
Physical Description: |
180404 |
DOI: |
10.1103/PhysRevB.82.180404 |
Document Type: |
Journal Article |
Research Program: |
BioSoft: Makromolekulare Systeme und biologische Informationsverarbeitung |
Series Title: |
Physical Review B
82 |
Subject (ZB): | |
Link: |
Get full text OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/10965 in citations.
Mapping the magnetic exchange interactions from model Hamiltonian to density-functional theory is a crucial step in multiscale modeling calculations. Considering the usual magnetic force theorem but with arbitrary rotational angles of the spin moments, a spurious anisotropy in the standard mapping procedure is shown to occur provided by bilinear like contributions of high-order spin interactions. The evaluation of this anisotropy gives a hint on the strength of nonbilinear terms characterizing the system under investigation. |