Magnetic coupling of 4d transition metal monolayers with bcc-Fe as a substrate

We make a systematic study of 4d transition metal monolayers epitaxially grown on bcc-Fe(001). For this purpose we consider the slabs X/2Fe/X and X/5Fe/X (X = Mo, Tc, Ru, Rh and Pd) within a mean-field Hubbard model. To parametrize the surfaces we add extra orbitals outside the slab to allow for ele...

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Detalles Bibliográficos
Autores principales: Gómez Abal, R., Llois, A.M., Weissmann, M.
Formato: JOUR
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_09538984_v8_n36_p6607_GomezAbal
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id todo:paper_09538984_v8_n36_p6607_GomezAbal
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spelling todo:paper_09538984_v8_n36_p6607_GomezAbal2023-10-03T15:51:33Z Magnetic coupling of 4d transition metal monolayers with bcc-Fe as a substrate Gómez Abal, R. Llois, A.M. Weissmann, M. We make a systematic study of 4d transition metal monolayers epitaxially grown on bcc-Fe(001). For this purpose we consider the slabs X/2Fe/X and X/5Fe/X (X = Mo, Tc, Ru, Rh and Pd) within a mean-field Hubbard model. To parametrize the surfaces we add extra orbitals outside the slab to allow for electron spillover. This calculation gives a different polarization for each of the five d orbitals of the transition metals. We find that Mo and Tc couple antiferromagnetically to Fe while Ru, Rh and Pd couple ferromagnetically. Ru presents a more critical behaviour than any other 4d transition metal. The results obtained can be explained through an analysis of bulk paramagnetic d-band centres. Fil:Gómez Abal, R. 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:Weissmann, M. 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_09538984_v8_n36_p6607_GomezAbal
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description We make a systematic study of 4d transition metal monolayers epitaxially grown on bcc-Fe(001). For this purpose we consider the slabs X/2Fe/X and X/5Fe/X (X = Mo, Tc, Ru, Rh and Pd) within a mean-field Hubbard model. To parametrize the surfaces we add extra orbitals outside the slab to allow for electron spillover. This calculation gives a different polarization for each of the five d orbitals of the transition metals. We find that Mo and Tc couple antiferromagnetically to Fe while Ru, Rh and Pd couple ferromagnetically. Ru presents a more critical behaviour than any other 4d transition metal. The results obtained can be explained through an analysis of bulk paramagnetic d-band centres.
format JOUR
author Gómez Abal, R.
Llois, A.M.
Weissmann, M.
spellingShingle Gómez Abal, R.
Llois, A.M.
Weissmann, M.
Magnetic coupling of 4d transition metal monolayers with bcc-Fe as a substrate
author_facet Gómez Abal, R.
Llois, A.M.
Weissmann, M.
author_sort Gómez Abal, R.
title Magnetic coupling of 4d transition metal monolayers with bcc-Fe as a substrate
title_short Magnetic coupling of 4d transition metal monolayers with bcc-Fe as a substrate
title_full Magnetic coupling of 4d transition metal monolayers with bcc-Fe as a substrate
title_fullStr Magnetic coupling of 4d transition metal monolayers with bcc-Fe as a substrate
title_full_unstemmed Magnetic coupling of 4d transition metal monolayers with bcc-Fe as a substrate
title_sort magnetic coupling of 4d transition metal monolayers with bcc-fe as a substrate
url http://hdl.handle.net/20.500.12110/paper_09538984_v8_n36_p6607_GomezAbal
work_keys_str_mv AT gomezabalr magneticcouplingof4dtransitionmetalmonolayerswithbccfeasasubstrate
AT lloisam magneticcouplingof4dtransitionmetalmonolayerswithbccfeasasubstrate
AT weissmannm magneticcouplingof4dtransitionmetalmonolayerswithbccfeasasubstrate
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