Simulation of the enhanced Curie temperature in Mn5Ge3Cx compounds

Slipukhina, I.; Mavropoulos, Ph.; Arras, E.; Pochet, P.

doi:10.1063/1.3134482

Journal Article

PreJuSER-5500

Simulation of the enhanced Curie temperature in Mn5Ge3Cx compounds

Slipukhina, I. ; Arras, E. ; Mavropoulos, P.FZJ* ; Pochet, P.

2009
American Institute of Physics Melville, NY

Applied physics letters 94, 192505 (2009) [10.1063/1.3134482]

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Please use a persistent id in citations: http://hdl.handle.net/2128/17269 doi:10.1063/1.3134482

Abstract: Mn5Ge3Cx films with x >= 0.5 were experimentally shown to exhibit a strongly enhanced Curie temperature T-C compared to Mn5Ge3. In this letter we present the results of our first principles calculations within Green's function approach, focusing on the effect of carbon doping on the electronic and magnetic properties of the Mn5Ge3. The calculated exchange coupling constants revealed an enhancement of the ferromagnetic Mn-Mn interactions mediated by carbon. The essentially increased T-C in Mn5Ge3C is well reproduced in our Monte Carlo simulations and together with the decrease of the total magnetization is found to be predominantly of an electronic nature.

Keyword(s): J ; ab initio calculations (auto) ; Curie temperature (auto) ; doping profiles (auto) ; exchange interactions (electron) (auto) ; ferromagnetic materials (auto) ; germanium compounds (auto) ; Green's function methods (auto) ; magnetic thin films (auto) ; manganese compounds (auto) ; Monte Carlo methods (auto)

Classification:

Physics, Applied

Note: S. acknowledges the CEA nanosciences program and P. M. the ESF SONS Contract No. ERAS-CT-2003-980409 for partial funding. The simulations were performed at the CCRT and at the Julich JSC in the framework of the collaboration between CEA and Helmholtz institutes.

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