An Exceptionally Narrow Band-Gap (∼4 eV) Silicate Predicted in the Cubic Perovskite Structure: BaSiO3

The electronic structures of 35 A 2+ B 4+O3 ternary cubic perovskite oxides, including their hypothetical chemical compositions, were calculated by a hybrid functional method with the expectation that peculiar electronic structures and unique carrier transport properties suitable for semiconductor a...

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Veröffentlicht in:	Inorganic chemistry 2017-09, Vol.56 (17), p.10535-10542
Hauptverfasser:	Hiramatsu, Hidenori, Yusa, Hitoshi, Igarashi, Ryo, Ohishi, Yasuo, Kamiya, Toshio, Hosono, Hideo
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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