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• W3100417623 abstract "There are few known semiconductors exhibiting both strong optical response and large dielectric polarizability. Inorganic materials with large dielectric polarizability tend to be wide-band gap complex oxides. Semiconductors with strong photoresponse to visible and infrared light tend to be weakly polarizable. Interesting exceptions to these trends are halide perovskites and phase-change chalcogenides. Here we introduce complex chalcogenides in the Ba-Zr-S system in perovskite and Ruddlesden-Popper structures as a new family of highly polarizable semiconductors. We report the results of impedance spectroscopy on single crystals that establish BaZrS3 and Ba3Zr2S7 as semiconductors with low-frequency relative dielectric constant (${epsilon}_0$) in the range 50 - 100, and band gap in the range 1.3 - 1.8 eV. Our electronic structure calculations indicate the enhanced dielectric response in perovskite BaZrS3 versus Ruddlesden-Popper Ba3Zr2S7 is primarily due to enhanced IR mode-effective charges, and variations in phonon frequencies along $langle 001 rangle$; differences in the Born effective charges and the lattice stiffness are of secondary importance. This combination of covalent bonding in crystal structures more common to complex oxides results in a sizable Frohlich coupling constant, which suggests that charge carriers are large polarons." @default.
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• W3100417623 date "2020-09-08" @default.
• W3100417623 modified "2023-10-16" @default.
• W3100417623 title "Discovery of highly polarizable semiconductors <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:mi>BaZr</mml:mi><mml:msub><mml:mi mathvariant=normal>S</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math> and <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:msub><mml:mi mathvariant=normal>Ba</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mi mathvariant=normal>Zr</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant=…" @default.
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• W3100417623 doi "https://doi.org/10.1103/physrevmaterials.4.091601" @default.
• W3100417623 hasPublicationYear "2020" @default.
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