Exploring Ba(Ti, Sn)O3: An experimental and theoretical study of structural, ferroelectric, electronic, and optical properties. (September 2021)

• Record Type: Journal Article
• Authors: Naveed-Ul-Haq, M.
• Is Part Of: Materials today communications. Volume 28(2021)
• Publication Date: 2021-09
• Subjects: Ferroelectrics -- Electric permittivity -- Solid-state synthesis -- XRD -- DFT calculations; Materials science -- Periodicals; 620.11
• DOI: 10.1016/j.mtcomm.2021.102494
• Languages: English
• ISSNs: 2352-4928

Abstract

Graphical abstract: Abstract: Ba(Sn, Ti)O3 (BSnTO) is an excellent functional material that can be utilized for its high electrocaloric effect, high pyroelectric effect, and good photovoltaic characteristics. The current report is based on a combined experimental and theoretical study of ferroelectric Sn-doped BaTiO3 ceramic. The sample was successfully synthesized via the solid-state sintering method. The phase purity was verified by the XRD measurements and subsequent Rietveld refinement. The sample showed good ferroelectric and dielectric properties at room temperature. Specifically, the temperature-dependent phase transition behavior was studied with dielectric measurements. The band structure, the density of states, and optical properties were calculated using the CASTEP code. Various optical constant as a function of energy was calculated and the underlying physics is explored.