Elucidating the Influence of Native Defects on Electrical and Optical Properties in Semiconducting Oxides: An Experimental and Theoretical Investigation

Defect engineering using self-doping or creating vacancies in polycrystalline oxide based materials has profound influence on optical absorption, UV photo detection, and electrical switching. However, defects induced semiconducting oxide devices show enhancement in photo detection and photosensitivity, and hence still remain interesting in the field of optoelectronics. In this study, defect engineering in semiconducting oxide materials is discussed along with their roles in optoelectronic device-based applications. Theoretical investigations have been done for identifying defect states by performing first-principles electronic structure calculations, employing the density-functional theory. Particularly, in this work, we have focused on probing the defect-induced changes in optical and electrical processes by means of experimental as well as computational investigations. Hence, systematic experimental measurements of optical absorption, electrical switching, charge density, and photocurrent in defect-rich semiconducting oxide samples have been performed. Our results suggest that defects can lead to enhancement of optoelectronic properties such as photocurrent, switching speed, optical absorption, etc. for semiconducting oxide based devices.Comment: 15 pages including Supporting Information, 7 figures (included); Computational Materials Science (in press