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


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1 Department of Physics, Mizoram University, Aizawl 796004, India
 

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. Fromthe dielectric function curve we have predicted the plasmon excitation at around 1.75 eV and calculated the corresponding plasma frequency (wp) = 26.585 × 1014 s-1.
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  • A Theoretical Study of Bulk Tungsten (W) Based on Momentum Transfer (q-Dependent)

Abstract Views: 99  |  PDF Views: 7

Authors

D. P. Rai
Department of Physics, Mizoram University, Aizawl 796004, India
R. K. Thapa
Department of Physics, Mizoram University, Aizawl 796004, India

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. Fromthe dielectric function curve we have predicted the plasmon excitation at around 1.75 eV and calculated the corresponding plasma frequency (wp) = 26.585 × 1014 s-1.