Theoretical investigation on the structural, magnetic, electronic and optical properties of UPtGe crystal

Structural, magnetic, electronic and optical properties of UPtGe compound were calculated within the density functional theory (DFT) using the PBE-GGA for the exchangecorrelation functional. The imaginary and real parts of the dielectric function were calculated by the random phase approximation (RPA) and Kramers-Kronig relations, respectively. The result shows that the imaginary part is a broad function of the energy. The later result indicates that there may be strong interactions among valence states. The later result thereby indicates that the valence states may be highly hybridized to each other.

Keywords:

UPtGe crystal , optical properties , FPLAPW , WIENk , GGA