Electronic structure and intrinsic dielectric polarization of defect-engineered rutile TiO2
Experimental realization of colossal permittivity associated with intrinsic dielectric polarization of defect-engineered (Nb, In) co-doped rutile TiO2 appears to be most suitable for microelectronics and solid-state device applications. Combining resonant photoemission spectroscopy, X-ray absorption spectroscopy, and density functional theory calculations, we here present a coherent understanding of electronic structure, in-gap defect states, doped electron localization, and their connection with macroscopic polarization for various doping configurations. Most often, conventional sample preparation conditions introduce in-gap states of Ti3+? character, limiting the maximum achievable intrinsic polarization value. Our understanding provides a pathway to enhance intrinsic polarization and minimize dielectric loss through suitable defect-engineering. The Royal Society of Chemistry.
Journal of Materials Chemistry C, Vol-9, No. 2, pp. 595-599.
https://doi.org/10.1039/d0tc05108j https://www.scopus.com/inward/record.uri?eid=2-s2.0-85099743674&doi=10.1039%2fd0tc05108j&partnerID=40&md5=e802e6018072926fba7e64c85423643d
Mandal S., Physics and Electronics Department, CHRIST (Deemed to Be University), Bangalore, 560029, India; Ska T., Charles University, Faculty of Mathematics and Physics v, Holeovi?kh 2, Prague 8, 18000, Czech Republic; Menon K.S.R., Surface Physics and Material Science Division, Saha Institute of Nuclear Physics, Kolkata, 700064, India