A Theoretical Study of Bulk Tungsten (W) Based on Momentum Transfer (q-Dependent)

Abstract

The ground state electronic properties of bulk (W) were studied within the density functional theory (DFT). We have also analyzed the momentum-(q-) dependent loss function, dielectric constant, and optical conductivity (OC) within TD-DFT random-phase approximation (RPA). The loss function is plotted in the energy range 0-55 eV. The energy loss function spectrum shows four prominent peaks, two lower peaks below along with two sharp peaks above 30 eV. The different nature of peaks depends on the momentum transfer q. The peak caused by interband transition showed a less pronounced dispersion. From the dielectric function curve we have predicted the plasmon excitation at around 1.75 eV and calculated the corresponding plasma frequency ( ) = 26.585 × 10 14 s −1 .