This title appears in the Scientific Report :
2007
Please use the identifier:
http://hdl.handle.net/2128/7679 in citations.
Please use the identifier: http://dx.doi.org/10.1103/PhysRevB.75.104413 in citations.
Magnetic order and exchange interactions in monoatomic 3d transition-metal chains
Magnetic order and exchange interactions in monoatomic 3d transition-metal chains
Based on first-principles calculations we analyze the magnetic order and the exchange interactions in monoatomic 3d transition-metal chains of V, Cr, Mn, Fe, and Co. While freestanding Fe and Co chains remain ferromagnetic in the entire range of interatomic distances, V, Cr, and Mn chains change the...
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Personal Name(s): | Mokrousov, Y. |
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Bihlmayer, G. / Blügel, S. / Heinze, S. | |
Contributing Institute: |
Quanten-Theorie der Materialien; IFF-1 Jülich-Aachen Research Alliance - Simulation Sciences; JARA-SIM JARA-FIT; JARA-FIT Center of Nanoelectronic Systems for Information Technology; CNI |
Published in: | Physical Review B Physical review / B, 75 75 (2007 2007) 10 10, S. 104413 104413 |
Imprint: |
College Park, Md.
APS
2007
|
Physical Description: |
104413 |
DOI: |
10.1103/PhysRevB.75.104413 |
Document Type: |
Journal Article |
Research Program: |
Kondensierte Materie |
Series Title: |
Physical Review B
75 |
Subject (ZB): | |
Link: |
Get full text OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://dx.doi.org/10.1103/PhysRevB.75.104413 in citations.
Based on first-principles calculations we analyze the magnetic order and the exchange interactions in monoatomic 3d transition-metal chains of V, Cr, Mn, Fe, and Co. While freestanding Fe and Co chains remain ferromagnetic in the entire range of interatomic distances, V, Cr, and Mn chains change their magnetic state from antiferromagnetic (AFM) to ferromagnetic (FM) upon stretching. The corresponding distance-dependent exchange interaction is in striking resemblance to the Bethe-Slater curve. We demonstrate that in combination with the symmetry reduction on the (110) surfaces of Cu, Pd, Ag, and NiAl even a weak chain-surface hybridization is sufficient to dramatically change the magnetic coupling in the chains. In particular, we find a tendency towards antiferromagnetic coupling. The obtained magnetic state of a specific chain depends sensitively on the chemical composition and the lattice constant of the surface. Surprisingly, Cr and Mn chains show a transition from ferromagnetic coupling in freestanding chains to antiferromagnetic coupling on the (110) surfaces of Pd, Ag, and NiAl. For Fe and Co chains on NiAl(110) the FM and AFM states differ by only 2 meV, suggesting the possibility of a more complex, noncollinear magnetic ground state. |