Journal Article

PreJuSER-22551

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material

Gottschlich, M.FZJ* ; Gourdon, O.FZJ* ; Perßon, J.FZJ* ; da la Cruz, C. ; Petricek, V. ; Brückel, T.FZJ*

2012
ChemSoc London

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Please use a persistent id in citations: http://hdl.handle.net/2128/7559  doi:10.1039/c2jm00154c

Abstract: The intermetallic compound Mn5Si3 has been studied by high-resolution Time-of-Flight (TOF) neutron powder diffraction. At room temperature, Mn5Si3 is paramagnetic and it crystallizes in the P6(3)/mcm hexagonal space group. Magnetic susceptibility and specific heat measurements show clearly two major anomalies. At 100(1) K, a transition (Tm-1) corresponds to a collinear antiferromagnetic ordering (AF1). The second transition at 62(1) K (Tm-2), which was still unclear, highlights a magneto-structural distortion from an orthorhombic symmetry (AF1) to a monoclinic symmetry (AF2), which could be influenced by a low magnetic field. Such a magneto-structural change is directly associated with the inverse magnetocaloric effect behaviour of this material. A new description by means of the commensurate magnetic superspace groups, Ccmm1'(0 beta 0)00ss and C2(1)/m1'(alpha beta 0)0ss, has been used to refine properly the low temperature antiferromagnetic structures. Band structure calculations using the self-consistent, spin-polarized TB-LMTO method were accomplished to support the magnetic properties observed at low temperature.

Keyword(s): J

Note: The authors are grateful to Dr Ashfia Huq, Dr Jason Hodges, Luke Heroux and Mickael A. McGuire for their various constructive comments on the neutron experiments and the physical measurements. This research at Oak Ridge National Laboratory's High Flux Isotope Reactor and Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. Development of the program Jana2006 was supported by Praemium Academiae of Czech Academy of Sciences.

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Contributing Institute(s):

1. Streumethoden (PGI-4)
2. Streumethoden (JCNS-2)
3. Jülich-Aachen Research Alliance - Fundamentals of Future Information Technology (JARA-FIT)
4. Neutronenstreuung (JCNS-1)
5. Neutronenstreuung (ICS-1)

Research Program(s):

1. Grundlagen für zukünftige Informationstechnologien (FUEK412) (FUEK412)
2. 544 - In-house Research with PNI (POF2-544) (POF2-544)

Appears in the scientific report 2012

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Database coverage:
; ; Allianz-Lizenz / DFG ; Current Contents - Life Sciences ; Current Contents - Physical, Chemical and Earth Sciences ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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