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Influence of interstitial Mn on local structure and magnetism inMn1+δSb
2015
Physical Review B
We report x-ray total scattering and pair distribution function (PDF) studies of the structural relaxation around interstitial manganese (Mn_i) in ferromagnetic Mn_1+δSb (0.03 <δ< 0.23) alloys, guided by density functional theory (DFT). Refinements to the experimental PDF using a crystallographically constrained structural model indicate an expansion in the equatorial plane of the Mn_iSb_5 trigonal bipyramidal site, which introduces significant positional disorder in addition to the
doi:10.1103/physrevb.92.184414
fatcat:ki5gf7sn2fgptg6e443cb7npoi