X-ray photoemission spectrum, electronic structure, and magnetism of UCu${}_2$Si${}_2$

Abstract

The room temperature X-ray photoemission spectrum of the ferromagnetic compound UCu${}_2$Si${}_2$ (T${}_C$ = 100 K) was measured using an Al K${}_{\alpha }$ source. Related theoretical spectra were computed from densities of electronic states obtained in the local density approximation (LDA), the generalized gradient approximation (GGA), and using the GGA+U method. The calculated spectrum is in a good agreement with the experimental one. The spin polarized calculations based on the GGA+U approach as well as GGA/LSDA with orbital polarization (OP) corrections taken into account provide values of the total magnetic moment in reasonable agreement with the experimental values ranging between 1.6 and 2.0 ${\mu }_B$/U atom.

Cited by in corpus (6)

• Effect of Gd and Co content on electrochemical and electronic properties of La${}_{1.5}$Mg${}_{0.5}$Ni${}_7$ alloys: a combined experimental and first-principles study
• Electronic structure of CeCo${}_{1-x}$Fe${}_x$Ge${}_3$ studied by X-ray photoelectron spectroscopy and first-principles calculations
• Influence of Pr substitution on physical properties of Ce${}_{1-x}$Pr${}_x$CoGe${}_3$ system: A combined experimental and first-principles study
• Monte Carlo calculations of Curie temperatures of Y${}_{1-x}$Gd${}_x$(Fe${}_{1-y}$Co${}_y$)${}_2$ pseudobinary system
• Occupation deficiency in layered structures of UNi${}_x$Sb${}_2$ ($0\le x\le 1$) studied by density functional theory supercell calculations
• Electronic structure of YbFe${}_4$Al${}_8$ antiferromagnet: A combined X-ray photoelectron spectroscopy and first-principles study