Experimental and theoretical study of the electronic structures of Mn1−xCrxAu2

Experimental and theoretical study of the electronic and magnetic structures of Mn1−xCrxAu2

“…The number of electrons per atom for the valence orbitals for MnAu 2 calculated with the GGA approximation is 4.65 and 0.81 for the Mn spin-up and spin-down state, respectively; while that for the Au spin-up and spin-down state is 11.61 and 11.54, respectively [7]. Thus, the Mn atoms carry the most magnetic moment (M).…”

“…The helimagnetism of the Mn 1−x Cr x Au 2 compounds was studied theoretically by using a generalized perturbation method within the screened Korringa-Kohn-Rostoker formalism [6]. Recently, X-ray absorption near-edge spectroscopy (XANES) spectra of Mn 1−x Cr x Au 2 (x = 0, 0.05, 0.08, and 0.13) were measured and compared with theoretical XANES spectra and site-and momentum-decomposed partial density of states (DOS) calculated by the full-potential linear augmented-planewave method (FLAPW) method [7]. Extended X-ray absorption fine structure spectra of these compounds were also analyzed to yield the bonding parameters [7].…”

“…Recently, X-ray absorption near-edge spectroscopy (XANES) spectra of Mn 1−x Cr x Au 2 (x = 0, 0.05, 0.08, and 0.13) were measured and compared with theoretical XANES spectra and site-and momentum-decomposed partial density of states (DOS) calculated by the full-potential linear augmented-planewave method (FLAPW) method [7]. Extended X-ray absorption fine structure spectra of these compounds were also analyzed to yield the bonding parameters [7]. The purpose of this work is to study the valence-band (VB) and core-level photoemission spectra in order to probe the occupied states of these compounds.…”