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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Detalles Bibliográficos
Autores principales: Barral, María Andrea, Llois, Ana María, Saúl, Alberto Andrés
Publicado: 2014
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10980121_v90_n19_p_Urdaniz
http://hdl.handle.net/20.500.12110/paper_10980121_v90_n19_p_Urdaniz
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_10980121_v90_n19_p_Urdaniz
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spelling paper:paper_10980121_v90_n19_p_Urdaniz2023-06-08T16:07:57Z Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains Barral, María Andrea Llois, Ana María Saúl, Alberto Andrés 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. 2014 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10980121_v90_n19_p_Urdaniz http://hdl.handle.net/20.500.12110/paper_10980121_v90_n19_p_Urdaniz
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection 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.
author Barral, María Andrea
Llois, Ana María
Saúl, Alberto Andrés
spellingShingle Barral, María Andrea
Llois, Ana María
Saúl, Alberto Andrés
Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains
author_facet Barral, María Andrea
Llois, Ana María
Saúl, Alberto Andrés
author_sort Barral, María Andrea
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
publishDate 2014
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10980121_v90_n19_p_Urdaniz
http://hdl.handle.net/20.500.12110/paper_10980121_v90_n19_p_Urdaniz
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AT lloisanamaria magneticinteractionsin3dmetalchainsoncu2xcu001xnocomparisonwithcorrespondingunsupportedchains
AT saulalbertoandres magneticinteractionsin3dmetalchainsoncu2xcu001xnocomparisonwithcorrespondingunsupportedchains
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