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Electronic structure of BaSnO3 investigated by high-energy-resolution electron energy-loss spectroscopy and ab initio calculations

机译:通过高能量分辨率研究BasnO3的电子结构   电子能量损失谱和从头计算

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摘要

There has been growing interest in perovskite BaSnO3 due to its desirableproperties for oxide electronic devices including high electron mobility atroom temperature and optical transparency. As these electronic and opticalproperties originate largely from the electronic structure of the material,here the basic electronic structure of epitaxially-grown BaSnO3 films isstudied using high-energy-resolution electron energy-loss spectroscopy in atransmission electron microscope and ab initio calculations. This studyprovides a detailed description of the dielectric function of BaSnO3, includingthe energies of bulk plasmon excitations and critical interband electronictransitions, the band structure and partial densities of states, the measuredband gap, and more. To make the study representative of a variety of depositionmethods, results from BaSnO3 films grown by both hybrid molecular beam epitaxyand high pressure oxygen sputter deposition are reported.
机译:由于钙钛矿型BaSnO3对氧化物电子器件具有令人希望的性能,包括在室温下具有高电子迁移率和光学透明性,因此人们对钙钛矿型BaSnO3的兴趣日益增长。由于这些电子和光学性质主要源于材料的电子结构,因此在透射电子显微镜中使用高能分辨电子能量损失谱和从头算来研究外延生长的BaSnO3薄膜的基本电子结构。这项研究提供了对BaSnO3介电功能的详细描述,包括体等离子体激元激发的能量和临界带间电子跃迁,能带结构和状态的部分密度,测得的带隙等。为了使研究代表各种沉积方法,报道了通过混合分子束外延和高压氧溅射沉积生长的BaSnO3薄膜的结果。

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