Site preference and electronic structure of Mn2RhZ (Z = Al, Ga, In, Si, Ge, Sn, Sb): a theoretical study

Ren, Z.; Liu, Y.; Li, S.; Zhang, X.; Liu, H.

doi:10.1515/msp-2016-0043

Artykuł - szczegóły

Tytuł artykułu

Site preference and electronic structure of Mn2RhZ (Z = Al, Ga, In, Si, Ge, Sn, Sb): a theoretical study

Autorzy

Ren Z. , Liu Y. , Li S. , Zhang X. , Liu H.

Wybrane pełne teksty z tego czasopisma

Identyfikatory

DOI

10.1515/msp-2016-0043

Warianty tytułu

Języki publikacji

Abstrakty

The electronic structure and magnetism of Mn2RhZ (Z = Al, Ga, In, Si, Ge, Sn, Sb) Heusler alloys have been studied by using first-principles calculations. Three half-metallic ferromagnets, namely, Mn2RhAl, Mn2RhGe and Mn2RhSb have been considered. The calculated equilibrium lattice constant increases with increasing atomic number of Z atoms lying in same column of periodic table. The calculated total magnetic moments M<subtot are 2 μB/f.u. for Mn2RhAl and Mn2RhGa, 3 μB/f.u. for Mn2RhSi, Mn2RhGe and Mn2RhSn, and 4 μB/f.u. for Mn2RhSb, which agrees with the Slater-Pauling curve quite well. In all these compounds, except for Mn2RhSb, the moments of Mn (A) and Mn (B) are antiparallel to each other. The total magnetic moments of the three considered half-metals assume integral values in a wide range of equilibrium lattice parameters.

Słowa kluczowe

Heusler alloy electronic structure h-metal site preference

Wydawca

De Gruyter

Czasopismo

Materials Science Poland

Rocznik

2016

Tom

Vol. 34, No. 2

Strony

251--259

Opis fizyczny

Bibliogr. 35 poz., rys., tab.

Twórcy

autor

Ren Z.

School of Mathematics and Physics, North China Electric Power University, Baoding 071003, P.R.China

autor

Liu Y.

School of Mathematics and Physics, North China Electric Power University, Baoding 071003, P.R.China

autor

Li S.

songtaoli2001@126.com

School of Mathematics and Physics, North China Electric Power University, Baoding 071003, P.R.China

autor

Zhang X.

School of Mathematics and Physics, North China Electric Power University, Baoding 071003, P.R.China

autor

Liu H.

School of Material Science and Engineering, Hebei University of Technology, Tianjin 300130, P.R.China

Bibliografia

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Uwagi

Opracowanie ze środków MNiSW w ramach umowy 812/P-DUN/2016 na działalność upowszechniającą naukę.

Typ dokumentu

Bibliografia

Identyfikator YADDA

bwmeta1.element.baztech-d7a9c48e-48db-4ff1-bc5f-3dad5feeb826