Compton Scattering and Electronic Properties of Tungsten Ditelluride

Abstract:

We report the first ever isotropic experimental Compton profile of tungsten ditelluride using 20 Ci ¹³⁷Cs Compton spectrometer. To compare our experimental data, we have also computed the Compton profiles, energy bands, density of states and band gap using Hartree-Fock and density functional theory within linear combination of atomic orbitals. The measured data is found to be in better accordance with the generalised gradient approximation of density functional theory than Hartree-Fock and local density approximation. We have discussed the nature of bonding in WTe₂ using energy bands and density of states.

• Periodical: Solid State Phenomena (Volume 209)
• Pages: 107-110
• DOI: https://doi.org/10.4028/www.scientific.net/SSP.209.107
• Online since: November 2013
• Authors: Gunjan Arora, B.L. Ahuja
• Keywords: Compton Scattering, Density Functional Theory (DFT), Electron Momentum Density, Electronic Band Structure, Layered Transition Metal Dichalcogenides

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