2023
DOI: 10.3390/cryst13020178
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Effect of Bi3+ Doping on the Electronic Structure and Thermoelectric Properties of (Sr0.889-xLa0.111Bix)TiO2.963: First-Principles Calculations

Abstract: The electronic structure and thermoelectric properties of Bi3+-doped (Sr0.889-xLa0.111Bix)TiO2.963 were studied by the first principles method. Doping Bi3+ can increase the cell parameters, cell asymmetry and band gap. With increasing Bi3+ content, the asymmetry of DOS relative to the Fermi level increases, which results in an enhanced Seebeck coefficient, increasing carrier mobility and decreasing carrier concentration. An appropriate Bi3+-doping concentration (7.4–14.8%) can increase the lattice distortion a… Show more

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“…Amidst the rapid advancements in science and technology [3][4][5], the current design status and developmental trends of composite thin film preparation platforms have garnered significant attention [6][7][8]. In 2023, a foreign research team devised an integrated ultrahigh-vacuum cluster system to address interfacial spin effects in spintronic multilayer films [9,10].…”
Section: Introductionmentioning
confidence: 99%
“…Amidst the rapid advancements in science and technology [3][4][5], the current design status and developmental trends of composite thin film preparation platforms have garnered significant attention [6][7][8]. In 2023, a foreign research team devised an integrated ultrahigh-vacuum cluster system to address interfacial spin effects in spintronic multilayer films [9,10].…”
Section: Introductionmentioning
confidence: 99%