Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains
In this work we present a systematic study of the magnetic interactions within 3d transition-metal chains adsorbed on Cu2N and Cu2O monolayers grown on Cu(001). We are interested in the particular geometric adsorption configuration which gives rise, after relaxation, to the development of diatomic T...
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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_10980121_v90_n19_p_Urdaniz |
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todo:paper_10980121_v90_n19_p_Urdaniz2023-10-03T16:06:28Z Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains Urdaniz, M.C. Barral, M.A. Llois, A.M. Saúl, A. In this work we present a systematic study of the magnetic interactions within 3d transition-metal chains adsorbed on Cu2N and Cu2O 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. © 2014 American Physical Society. Fil:Barral, M.A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Llois, A.M. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Saúl, A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_10980121_v90_n19_p_Urdaniz |
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Universidad de Buenos Aires |
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I-28 |
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R-134 |
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| description |
In this work we present a systematic study of the magnetic interactions within 3d transition-metal chains adsorbed on Cu2N and Cu2O 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. © 2014 American Physical Society. |
| format |
JOUR |
| author |
Urdaniz, M.C. Barral, M.A. Llois, A.M. Saúl, A. |
| spellingShingle |
Urdaniz, M.C. Barral, M.A. Llois, A.M. Saúl, A. Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains |
| author_facet |
Urdaniz, M.C. Barral, M.A. Llois, A.M. Saúl, A. |
| author_sort |
Urdaniz, M.C. |
| title |
Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains |
| title_short |
Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains |
| title_full |
Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains |
| title_fullStr |
Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains |
| title_full_unstemmed |
Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains |
| title_sort |
magnetic interactions in 3d metal chains on cu2x/cu(001) (x= n, o): comparison with corresponding unsupported chains |
| url |
http://hdl.handle.net/20.500.12110/paper_10980121_v90_n19_p_Urdaniz |
| work_keys_str_mv |
AT urdanizmc magneticinteractionsin3dmetalchainsoncu2xcu001xnocomparisonwithcorrespondingunsupportedchains AT barralma magneticinteractionsin3dmetalchainsoncu2xcu001xnocomparisonwithcorrespondingunsupportedchains AT lloisam magneticinteractionsin3dmetalchainsoncu2xcu001xnocomparisonwithcorrespondingunsupportedchains AT saula magneticinteractionsin3dmetalchainsoncu2xcu001xnocomparisonwithcorrespondingunsupportedchains |
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1807316086226419712 |