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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Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_09538984_v8_n36_p6607_GomezAbal |
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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 |
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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 |
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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1807314485248000000 |