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.

12 pages, 4 figures, 2 tables

References in corpus (4)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• High Mobility in a Stable Transparent Perovskite Oxide
• Physical properties of transparent perovskite oxides (Ba,La)SnO3 with high electrical mobility at room temperature
• Heteroepitaxial growth and optoelectronic properties of layered iron oxyarsenide, LaFeAsO

Cited by in corpus (4)

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• 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${}_3$