Physical origin of measured magnetic moment in MnxSi1-x with x=0.1%

C. Y. Fong; M. Shaughnessy; Ryan Snow; Kai Liu; J. E. Pask; L. H. Yang

doi:10.1117/12.828428

20 August 2009 Physical origin of measured magnetic moment in Mn_xSi_1-x with x=0.1%

C. Y. Fong, M. Shaughnessy, Ryan Snow, Kai Liu, J. E. Pask, L. H. Yang

Proceedings Volume 7398, Spintronics II; 73980J (2009) https://doi.org/10.1117/12.828428
Event: SPIE NanoScience + Engineering, 2009, San Diego, California, United States

Abstract

A recent experiment determined the magnetic moment /Mn, M, in the dilute Mn_xSi_1-x with x = 0.1% to be 5.0 µ_B/Mn. The existing calculated M values range from 2.37 to 3.1µ_B/Mn except the case with a fixed charge state, Mn²⁺, which gives 5.0µ_B/Mn. We address the issue: Can a single Mn at its neutral charge state in dilute MnxSi1-x alloys have M = 5.0 µ_B/Mn? After carrying out extensive calculations, the only model giving this M value involves a supercell having a total of 513 atoms with a Mn at a substitutional site and a Si at a tetrahedral interstitial site serving as a second neighbor to the Mn. Physically, the Mn contributes 4.0 µ_B due to the weakening of the d-p hybridization between the transition metal element and its nearest neighbor Si caused by the presence of the second neighbor Si. The additional 1.0 µ_B is the consequence of the exchange interaction through the remaining weak overlap of the wave functions between the d-state of the Mn and the sp³ state of the nearest neighbor Si atom. Evidences for the weakening of the d-p hybridization are presented.

Citation Download Citation

C. Y. Fong, M. Shaughnessy, Ryan Snow, Kai Liu, J. E. Pask, and L. H. Yang "Physical origin of measured magnetic moment in Mn_xSi_1-x with x=0.1%", Proc. SPIE 7398, Spintronics II, 73980J (20 August 2009); https://doi.org/10.1117/12.828428

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