Magnetic order in R Mn2 Ge2 (R=Y,Ca) compounds and their solid solutions with la Mn2 Ge2

We present a systematic study of the stability of the collinear and noncollinear magnetic states of R Mn2 Ge2 (R=Y,Ca) compounds as a function of the lattice parameter so as to simulate alloying with La, using density-functional theory calculations. The results allow us to discriminate between chemi...

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Detalles Bibliográficos
Autores principales:	Di Napoli, S., Llois, A.M., Bihlmayer, G., Blügel, S.
Formato:	JOUR
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_10980121_v75_n10_p_DiNapoli
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	todo:paper_10980121_v75_n10_p_DiNapoli
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spelling	todo:paper_10980121_v75_n10_p_DiNapoli2023-10-03T16:06:01Z Magnetic order in R Mn2 Ge2 (R=Y,Ca) compounds and their solid solutions with la Mn2 Ge2 Di Napoli, S. Llois, A.M. Bihlmayer, G. Blügel, S. We present a systematic study of the stability of the collinear and noncollinear magnetic states of R Mn2 Ge2 (R=Y,Ca) compounds as a function of the lattice parameter so as to simulate alloying with La, using density-functional theory calculations. The results allow us to discriminate between chemical and structural factors that determine the magnetic properties of these systems. We find that, to a large extent, the magnetic moments are determined by the interatomic Mn-Mn distance, given by the size of the substitutional atom. We also find that the different magnetic structures appearing along the phase diagrams are to be mainly ascribed to the interstitial electronic density related to the divalent or trivalent character of the R atom. © 2007 The American Physical Society. Fil:Di Napoli, S. 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_10980121_v75_n10_p_DiNapoli
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 present a systematic study of the stability of the collinear and noncollinear magnetic states of R Mn2 Ge2 (R=Y,Ca) compounds as a function of the lattice parameter so as to simulate alloying with La, using density-functional theory calculations. The results allow us to discriminate between chemical and structural factors that determine the magnetic properties of these systems. We find that, to a large extent, the magnetic moments are determined by the interatomic Mn-Mn distance, given by the size of the substitutional atom. We also find that the different magnetic structures appearing along the phase diagrams are to be mainly ascribed to the interstitial electronic density related to the divalent or trivalent character of the R atom. © 2007 The American Physical Society.
format	JOUR
author	Di Napoli, S. Llois, A.M. Bihlmayer, G. Blügel, S.
spellingShingle	Di Napoli, S. Llois, A.M. Bihlmayer, G. Blügel, S. Magnetic order in R Mn2 Ge2 (R=Y,Ca) compounds and their solid solutions with la Mn2 Ge2
author_facet	Di Napoli, S. Llois, A.M. Bihlmayer, G. Blügel, S.
author_sort	Di Napoli, S.
title	Magnetic order in R Mn2 Ge2 (R=Y,Ca) compounds and their solid solutions with la Mn2 Ge2
title_short	Magnetic order in R Mn2 Ge2 (R=Y,Ca) compounds and their solid solutions with la Mn2 Ge2
title_full	Magnetic order in R Mn2 Ge2 (R=Y,Ca) compounds and their solid solutions with la Mn2 Ge2
title_fullStr	Magnetic order in R Mn2 Ge2 (R=Y,Ca) compounds and their solid solutions with la Mn2 Ge2
title_full_unstemmed	Magnetic order in R Mn2 Ge2 (R=Y,Ca) compounds and their solid solutions with la Mn2 Ge2
title_sort	magnetic order in r mn2 ge2 (r=y,ca) compounds and their solid solutions with la mn2 ge2
url	http://hdl.handle.net/20.500.12110/paper_10980121_v75_n10_p_DiNapoli
work_keys_str_mv	AT dinapolis magneticorderinrmn2ge2rycacompoundsandtheirsolidsolutionswithlamn2ge2 AT lloisam magneticorderinrmn2ge2rycacompoundsandtheirsolidsolutionswithlamn2ge2 AT bihlmayerg magneticorderinrmn2ge2rycacompoundsandtheirsolidsolutionswithlamn2ge2 AT blugels magneticorderinrmn2ge2rycacompoundsandtheirsolidsolutionswithlamn2ge2
_version_	1782031042163507200

Magnetic order in R Mn2 Ge2 (R=Y,Ca) compounds and their solid solutions with la Mn2 Ge2

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