Toward a better understanding of the magnetocaloric effect: An experimental and theoretical study of MnFe.sub.4./sub.Si.sub.3./sub..

0435980 - FZÚ 2015 RIV US eng J - Journal Article
Gourdon, O. - Gottschlich, G. - Persson, J. - de la Cruz, C. - Petříček, Václav - McGuire, M.A. - Bruckel, T.
Toward a better understanding of the magnetocaloric effect: An experimental and theoretical study of MnFe₄Si₃.
Journal of Solid State Chemistry. Roč. 216, AUG (2014), s. 56-64. ISSN 0022-4596. E-ISSN 1095-726X
Grant - others:AV ČR(CZ) AP0701
Program: Akademická prémie - Praemium Academiae
Institutional support: RVO:68378271
Keywords : magneto caloric effect materials * intermetallic * silicide * magnetism * neutron diffraction * density functional theory
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 2.133, year: 2014

The intermetalliccompoundMnFe4Si3 has been studied by high-resolution Time of Flight(TOF)neutron powder diffraction. MnFe4Si3 crystallizes in the hexagonal space group P63/mcm with lattice constants of a=b=6.8043(4)Å and c=4.7254(2) Å at 310K. Magnetic susceptibility measurements show clearly the magnetic transition from paramagnetism to ferromagnetism at about 302(2)K. Magnetic structure refinements based on neutron powder diffraction data with and without external magnetic field reveal strong evidence on the origin of the large magnetocaloric effect(MCE)in this material as a partial reordering of the spins between 270K and 300K. In addition, electronic structure calculations using the self-consistent, spin-polarized Tight Binding-Linear MuffinTin Orbital method were also accomplished to address the “coloring problem” (Mn/Fe site preference)as well as the unique ferromagnetic behavior of this intermetallic compound.
Permanent Link: http://hdl.handle.net/11104/0239764