Magnetic order in R Mn2 Ge2 (R=Y,Ca) compounds and their solid solutions with la Mn2 Ge2
We present a systematic study of the stability of the collinear and noncollinear magnetic states of R Mn2 Ge2 (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 chemi...
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| Autores principales: | , |
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2007
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| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10980121_v75_n10_p_DiNapoli http://hdl.handle.net/20.500.12110/paper_10980121_v75_n10_p_DiNapoli |
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| Sumario: | We present a systematic study of the stability of the collinear and noncollinear magnetic states of R Mn2 Ge2 (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. © 2007 The American Physical Society. |
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