First-principles study on the electronic and optical properties of Bi<sub>2</sub>WO<sub>6</sub>
Haseeb Ahmad, Ali Rauf, Afaq Ahmad, Ata Ulhaq, Shoaib Muhammad
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.
Topics & Concepts
Materials scienceNanotechnologyGas Sensing Nanomaterials and SensorsTransition Metal Oxide NanomaterialsAdvanced Condensed Matter Physics