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Toward a better understanding of the magnetocaloric effect: An experimental and theoretical study of MnFe.sub.4./sub.Si.sub.3./sub..
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SYSNO ASEP 0435980 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Toward a better understanding of the magnetocaloric effect: An experimental and theoretical study of MnFe4Si3. Tvůrce(i) Gourdon, O. (US)
Gottschlich, G. (DE)
Persson, J. (DE)
de la Cruz, C. (US)
Petříček, Václav (FZU-D) RID, ORCID, SAI
McGuire, M.A. (US)
Bruckel, T. (DE)Zdroj.dok. Journal of Solid State Chemistry. - : Elsevier - ISSN 0022-4596
Roč. 216, AUG (2014), s. 56-64Poč.str. 9 s. Jazyk dok. eng - angličtina Země vyd. US - Spojené státy americké Klíč. slova magneto caloric effect materials ; intermetallic ; silicide ; magnetism ; neutron diffraction ; density functional theory Vědní obor RIV BM - Fyzika pevných látek a magnetismus Institucionální podpora FZU-D - RVO:68378271 UT WOS 000338177100009 EID SCOPUS 84901324598 DOI 10.1016/j.jssc.2014.05.001 Anotace 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. Pracoviště Fyzikální ústav Kontakt Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Rok sběru 2015
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