Origin of the Superior Conductivity of Perovskite Ba(Sr)SnO3

Abstract

ASnO3 (A=Ba, Sr) are unique perovskite oxides in that they have superior electron conductivity despite their wide optical band gaps. Using first-principles band structure calculations, we show that the small electron effective masses, thus, good electron conductivity of ASnO3 can be attributed to the large size of Sn in this system that gives the conduction band edge with antibonding Sn and O s characters. Moreover, we show that ASnO3 can be easily doped by La with shallow LaA(+/0) donor level. Our results, therefore, explained why the perovskite BaSnO3, SrSnO3, and their alloys are promising candidates for transparent conducting oxides.

arXiv comment12 pages, 4 figures, 2 tables

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• Physical properties of transparent perovskite oxides (Ba,La)SnO3 with high electrical mobility at room temperature
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• Octahedral tilting induced ferroelectricity in the ASnO${}_3$/BSnO${}_3$ superlattice
• Tuning Optical Properties of Transparent Conducting Barium Stannate by Dimensional Reduction
• Separating Electrons and Donors in BaSnO3 via Band Engineering
• Influence of the "second gap" on the transparency-conductivity compromise in transparent conducting oxides: an ab initio study
• Signature of band inversion in the perovskite thin-film alloys BaSn${}_{1-x}$Pb${}_x$O${}_3$
• Epitaxial Films and Devices of Transparent Conducting Oxides: La:BaSnO${}_3$
• Velocity Saturation in La-doped BaSnO3 Thin Films
• $\sqrt{2}$$\times$$\sqrt{2}R45^{\circ }$ surface reconstruction and electronic structure of BaSnO${}_3$ film