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Theoretical Analysis of the Density of States and Band Structural Properties of Ti1–x Sn x O2 Solid Solutions

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The band structure and density of states (DOS) of Ti1–x Sn x O2 solid solutions with x = 0, 1/8, 1/4, 1/2 and 1 were investigated by means of the first-principle calculations based on density functional theory. The result indicated that band gap and Fermi level of TiO2–SnO2 vary continuously from those of pure TiO2 to those of Sn content increasing. In addition, the DOS moves towards low energy and the bang gap is broadened with growing value of x. The wide band gap and the low density of the states in the conduction band result in the enhancement of photo-activity in Ti1–x Sn x O2.
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Keywords: BAND STRUCTURE; DOS; SNO2; TIO2

Document Type: Research Article

Publication date: July 1, 2018

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  • Journal of Nanoelectronics and Optoelectronics (JNO) is an international and cross-disciplinary peer reviewed journal to consolidate emerging experimental and theoretical research activities in the areas of nanoscale electronic and optoelectronic materials and devices into a single and unique reference source. JNO aims to facilitate the dissemination of interdisciplinary research results in the inter-related and converging fields of nanoelectronics and optoelectronics.
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