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We report x-ray total scattering and pair distribution function (PDF) studies of the structural relaxation around interstitial manganese (Mn$_i$) in ferromagnetic Mn$_{1+delta}$Sb ($0.03 le delta le 0.23$) 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$_i$Sb$_5$ trigonal bipyramidal site, which introduces significant positional disorder in addition to the nominally-random occupation of interstitial voids. Observation of a weak diffuse signal near the symmetry-forbidden (001) reflection position is indicative of correlated disorder from the clustering of Mn$_i$. Density functional relaxation of supercells approximating the $delta = 0.08$, $0.15,$ and $0.23$ compositions provides improved models that accurately describe the short-range structural distortions captured in the PDFs. Such structural relaxation increases the DFT calculated moment on Mn$_i$, which aligns antiparallel to the primary Mn moments, but leads to insubstantial changes in the average Mn and Sb moments and moments of Mn and Sb proximal to interstitials, thus providing a more accurate description of the observed bulk magnetic properties.
We report elastic and inelastic neutron scattering measurements of the high-TC ferromagnet Mn(1+delta)Sb. Measurements were performed on a large, TC=434 K, single crystal with interstitial Mn content of delta~0.13. The neutron diffraction results rev
Narrow-gap higher mobility semiconducting alloys In_{1-x}Mn_{x}Sb were synthesized in polycrystalline form and their magnetic and transport properties have been investigated. Ferromagnetic response in In_{0.98}Mn_{0.02}Sb was detected by the observat
The magnetic and transport properties of (GaMn)As are known to be influenced by postgrowth annealing, and it is generally accepted that these modifications are due to outdiffusion of Mn interstitials. We show that the annealing-induced modifications
Resonant in situ photoemission from Mn 3d states in Ga_{1-x}Mn_{x}As is reported for Mn concentrations down to very dilute limit of 0.1 at %. The properties of the peak at the valence-band maximum reveal an effective interaction between Mn 3d states
We investigated the electronic structure of layered Mn oxide Bi3Mn4O12(NO3) with a Mn honeycomb lattice by x-ray absorption spectroscopy. The valence of Mn was determined to be 4+ with a small charge-transfer energy. We estimated the values of supere