Journal Article

PreJuSER-56614

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Magnetic order in RMn2Ge2 (R=Y,Ca) compounds and their solid solutions with LaMn2Ge2

Di Napoli, S. ; Llois, A. M. ; Bihlmayer, G.FZJ* ; Blügel, S.FZJ*

2007
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/7681  doi:10.1103/PhysRevB.75.104406

Abstract: We present a systematic study of the stability of the collinear and noncollinear magnetic states of RMn2Ge2 (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.

Keyword(s): J

Note: Record converted from VDB: 12.11.2012

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IFF-1)
2. Center of Nanoelectronic Systems for Information Technology (CNI)
3. Jülich-Aachen Research Alliance - Fundamentals of Future Information Technology (JARA-FIT)
4. Jülich-Aachen Research Alliance - Simulation Sciences (JARA-SIM)

Research Program(s):

1. Grundlagen für zukünftige Informationstechnologien (P42)

Appears in the scientific report 2007

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