Electronic mobility, doping, and defects in epitaxial BaZrS3 chalcogenide perovskite thin films
Year: 2025
Type: article
Abstract: We present the electronic transport properties of BaZrS3 thin films grown epitaxially by gas-source molecular beam epitaxy. We observe n-type behavior in all samples, with carrier concentration ranging from 4×1018 to 4×1020cm−3 at room temperature (RT). We observe a champion RT Hall mobility of 11.1 cm2 V−1 s−1, which is competitive with established thin-film photovoltaic absorbers. Temperature-dependent Hall mobility data show that phonon scattering dominates at room temperature, in agreement with computational predictions. X-ray diffraction data illustrate a correlation between mobility and antiphase boundary concentration, illustrating how microstructure can affect transport. Despite the well-established environmental stability of chalcogenide perovskites, we observe significant changes to electronic properties as a function of storage time in ambient conditions. With the help of secondary ion mass spectrometry measurements, we propose and support a defect mechanism that explains this behavior: as-grown films have a high concentration of sulfur vacancies that are shallow donors (VS⋅orVS⋅⋅), which are converted into neutral oxygen defects (OS×) upon air exposure. We discuss the relevance of this defect mechanism within the larger context of chalcogenide perovskite research, and we identify means to stabilize the electronic properties.
Source: Journal of Applied Physics
DOI: 10.1063/5.0284663
Language: English
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $3,500
Funders: National Science Foundation, U.S. Department of Energy, Battelle, United States - Israel Binational Science Foundation, UT-Battelle, United States-Israel Binational Science Foundation, Office of Science, Division of Materials Research, Air Force Office of Scientific Research, Oak Ridge National Laboratory
Awards: G1026679911, G121915436, G1523888516, G1645119126, G166562317, G203625172, G2152005115, G2411683797, G2988778103, G313676650, G367466217, Collaborative Research: Developing metal-organic molecular beam epitaxy (MOMBE) for chalcogenide semiconductor thin film synthesis, G4423657506, G54933872, G5726405315, G6131459415, G6157359696, G675320460, Graduate Research Fellowship Program (GRFP), G8269158468, G8906985441, G8943143067
OpenAlex ID: W4413603900