![]() On the other hand, due to the Sn 5s orbitals on the bottom of the conduction band, BaSnO 3 has a high electron mobility at room temperature, with values of 320 cm 2 V −1 s −1 ( ref. 2 Its high visible optical transparency makes it is commonly used as a transparent electrode material or as electronic components for power devices, and it is regarded as a good substitute material for the traditional transparent conductive oxides. 1 The cubic BaSnO 3 with a band gap of 3.1 eV is stable at temperatures up to 1000 ☌. 1 Introduction Recently perovskite-type oxide BaSnO 3 has become a research hotspot, due to its high electron mobility and visible light transmittance at room temperature, as well as thermal stability. Our results demonstrate that strain could be an alternative way to modify the band gap and electron mobility of BaSnO 3. In contrast, the opposite phenomenon exists in compressive strain. BaSnO 3 under tensile hydrostatic strain exhibits higher electron mobility than it does under tensile biaxial strain because of the smaller electron effective mass in the corresponding strain. Originating from the strain sensitivity of the Sn 5s orbitals in the conduction band minimum, the band gaps of BaSnO 3 decrease for both types of strain from −3% to 3%. The structure of BaSnO 3 remains cubic under hydrostatic strain, while it becomes tetragonal under biaxial strain. Strain-induced changes in relative properties are remarkable and more sensitive to hydrostatic strain than biaxial strain. A first-principles electronic structure calculation is utilized to contrastively investigate the crystal structure, band structure, electron effective mass and mobility of perovskite BaSnO 3 under hydrostatic and biaxial strain.
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