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The electronic structure of β-TeO2 as wide bandgap p-type oxide semiconductor by Jueli Shi; Ziqian Sheng; Ling Zhu; Xiangyu Xu; Yun Gao; Dingliang Tang; Kelvin H. L. Zhang is a Engineering article available to read on EtoBox.

What is The electronic structure of β-TeO2 as wide bandgap p-type oxide semiconductor about?

Wide bandgap oxide semiconductors have gained significant attention in the fields from flat panel displays to solar cells, but their uses have been limited by the lack of high mobility p-type oxide semiconductors. Recently, b-phase TeO 2 has been identified as a promising p-type oxide semiconductor with exceptional device performance. In this Letter, we report on the electronic structure of b-TeO 2 studied by a combination of high-resolution x-ray spectroscopy and hybrid density functional theory calculations. The bulk bandgap of b-TeO 2 is determined to be 3.7 eV. Direct comparisons between experimental and computational results demonstrate that the top of a valence band (VB) of b-TeO 2 is composed of the hybridized Te 5s, Te 5p, and O 2p states, whereas a conduction band (CB) is dominated by unoccupied Te 5p states. The hybridization between spatially dispersive Te 5s 2 states and O 2p orbitals helps us to alleviate the strong localization in the VB, leading to small hole effective mass and high hole mobility in b-TeO 2 . The Te 5p states provide stabilizing effect to the hybridized Te 5s-O 2p states, which is enabled by structural distortions of a b-TeO 2 lattice. The multiple a

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Author

Jueli Shi; Ziqian Sheng; Ling Zhu; Xiangyu Xu; Yun Gao; Dingliang Tang; Kelvin H. L. Zhang

Publisher

AIP Publishing

Published

2023

Language

EN

Field

Engineering (Physical Sciences)