Tuning Optical Properties of Transparent Conducting Barium Stannate by Dimensional Reduction

Abstract

We report calculations of the electronic structure and optical properties of doped $n$-type perovskite BaSnO3 and layered perovskites. While doped BaSnO${}_3$ retains its transparency for energies below the valence to conduction band onset, the doped layered compounds exhibit below band edge optical conductivity due to transitions from the lowest conduction band. This gives absorption in the visible for Ba2SnO4. Thus it is important to minimize this phase in transparent conducting oxide (TCO) films. Ba3Sn2O7 and Ba4Sn3O10 have strong transitions only in the red and infrared, respectively. Thus there may be opportunities for using these as wavelength filtering TCO.

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• Tunability of electronic and optical properties of the Ba-Zr-S system via dimensional reduction
• A two-dimensional electron gas based on a 5s oxide with high room-temperature mobility and strain sensitivity
• Sn(II)-containing phosphates as optoelectronic materials
• Electronic structure of BaSnO3 investigated by high-energy-resolution electron energy-loss spectroscopy and ab initio calculations
• Epitaxial Films and Devices of Transparent Conducting Oxides: La:BaSnO${}_3$
• Optical and Electronic Properties of Doped $p$-type CuI: Explanation of Transparent Conductivity from First Principles
• Ba_{2}TeO as an optoelectronic material: First-principles study