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000005500 084__ $$2WoS$$aPhysics, Applied
000005500 1001_ $$0P:(DE-HGF)0$$aSlipukhina, I.$$b0
000005500 245__ $$aSimulation of the enhanced Curie temperature in Mn5Ge3Cx compounds
000005500 260__ $$aMelville, NY$$bAmerican Institute of Physics$$c2009
000005500 300__ $$a192505
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000005500 440_0 $$0562$$aApplied Physics Letters$$v94$$x0003-6951
000005500 500__ $$aS. acknowledges the CEA nanosciences program and P. M. the ESF SONS Contract No. ERAS-CT-2003-980409 for partial funding. The simulations were performed at the CCRT and at the Julich JSC in the framework of the collaboration between CEA and Helmholtz institutes.
000005500 520__ $$aMn5Ge3Cx 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.
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000005500 65320 $$2Author$$aab initio calculations
000005500 65320 $$2Author$$aCurie temperature
000005500 65320 $$2Author$$adoping profiles
000005500 65320 $$2Author$$aexchange interactions (electron)
000005500 65320 $$2Author$$aferromagnetic materials
000005500 65320 $$2Author$$agermanium compounds
000005500 65320 $$2Author$$aGreen's function methods
000005500 65320 $$2Author$$amagnetic thin films
000005500 65320 $$2Author$$amanganese compounds
000005500 65320 $$2Author$$aMonte Carlo methods
000005500 650_7 $$2WoSType$$aJ
000005500 7001_ $$0P:(DE-HGF)0$$aArras, E.$$b1
000005500 7001_ $$0P:(DE-Juel1)130823$$aMavropoulos, Ph.$$b2$$uFZJ
000005500 7001_ $$0P:(DE-HGF)0$$aPochet, P.$$b3
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