Abstract
We have used the full potential linearized augmented plane waves (FP-LAPW) method to investigate the magnetic properties of Zn0.50Mn0.50S/Rh (001) system. Spin-orbit coupling and different spin-polarized states for the electronic structure are considering in LSDA potential. The L23-edges X-ray absorption (XAS) and X-ray magnetic dichroism (XMD) are calculated locally at Mn–Mn sites. The results show no circular dichroism spectra (leading to zero in sum for a spin up and spin down conspicuously of the independent Mn atoms), which is a behavior specific to an antiferromagnetic material. The system shows a perpendicular magnetic anisotropy of (664 ± 25) µeV. Hence, the magnetic moments are arranged antiparallel and reach the value of ±3.72 µB especially between nearest neighbor Mn atoms. This can be explaining by a large number of d-electrons available to be spin-polarized in the low-dimensional regime. We propose that the magnetic properties are resulting from the hybridization between Mn–d and sulfur–p states at a given distance.
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