Magnetic interactions in 3d metal chains on Cu[subscript 2]X/Cu(001) (X = N, O): Comparison with corresponding unsupported chains
Name
PhysRevB.90.195423.pdf
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1.33 MB
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Author(s)
Urdaniz, M. C.
Barral, M. A.
Llois, A. M.
Saul, Alberto Andres
Date Issued
November 2014
Journal
Physical Review B
Publisher
American Physical Society
Citation
Urdaniz, M. C., M. A. Barral, A. M. Llois, and A. Saul. "Magnetic interactions in 3d metal chains on Cu[subscript 2]X/Cu(001) (X = N, O): Comparison with corresponding unsupported chains." Phys. Rev. B 90, 195423 (November 2014). © 2014 American Physical Society
Version
Final published version
Abstract
In this work we present a systematic study of the magnetic interactions within 3d transition-metal chains adsorbed on Cu[subscript 2]N and Cu[subscript 2]O monolayers grown on Cu(001). We are interested in the particular geometric adsorption configuration which gives rise, after relaxation, to the development of diatomic TM - X(X = N, O) chains. By using density functional theory (DFT), we calculate the energy difference between the ferromagnetic and antiferromagnetic intrachain configurations for Ti, V, Cr, Mn, Fe, and Co. Both substrates give rise, with minor differences, to the same magnetic trends, the only chains which are ferromagnetic after adsorption are Cr chains. By performing similar calculations in unsupported chains and introducing a tight-binding-model Hamiltonian based on physically reasonable assumptions we reproduce the magnetic trends obtained from the DFT calculations.
MIT Department
Massachusetts Institute of Technology. Department of Civil and Environmental Engineering
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DOI of Published Version
https://doi.org/10.1103/PhysRevB.90.195423
