Polar distortions and electron states in Sc-doped ZnSnO3 from first principles
ORAL
Abstract
Abstract: The ternary oxide ZnSnO3 with LiNbO3-type structure has a large spontaneous polarization and a large bandgap, and through its similarity with BaSnO3 is expected to have high mobility when the electron is doped. Using first-principles methods, we investigate the crystal structure and electron states in ZnSnO3 and Sc-doped ZnSnO3 to explore the effects of Sc doping, with a focus on the change in polar distortion and the predicted conductivity of the doped polar system.
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Presenters
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Limin Wang
Rutgers University, New Brunswick
Authors
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Limin Wang
Rutgers University, New Brunswick
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Karin M Rabe
Rutgers University, New Brunswick, Rutgers, The State University of New Jersey, Dept. of Physics and Astronomy, Rutgers University, New Brunswick, Department of Physics and Astronomy, Rutgers University, Piscataway, NJ, USA