First-principles study on the electronic and optical properties of Bi<sub>2</sub>WO<sub>6</sub>
Haseeb AhmadDepartment of Physics, Lahore University of Management Sciences, Lahore, PakistanAli RaufDepartment of Chemistry and Chemical Engineering, Lahore University of Management Sciences, Lahore, PakistanAfaq AhmadCentre of Excellence in Solid State Physics, University of the Punjab, Quaid-i-Azam Campus, Lahore, PakistanAta UlhaqDepartment of Physics, Lahore University of Management Sciences, Lahore, PakistanShoaib MuhammadDepartment of Chemistry and Chemical Engineering, Lahore University of Management Sciences, Lahore, Pakistan
2021en
ABI
Abstract
The nature of the band gap obtained from SOC and QP corrections changes to indirect. The semi-core states of Bi have been proved to be crucial in the GW calculations. Optical absorption from BSE, including SOC best matches the experimental data.
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