Band Alignment for Ambipolar-Doping of Sn_xZn_(1-x) Te Alloys |
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Authors: | YUAN Xiao-Juan LIU Jian-Zhe NING Feng ZHANG Yong TANG Li-Ming |
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Institution: | Department of Applied Physics and Key Lab for Micro-Nano Physics and Technology of Hunan Province, Hunan University, Changsha 410082, China |
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Abstract: | Using the first-principles band-structure method and a special quasirandom structure(SQS) approach,we have systematically calculated the alloy bowing coefficients and the nature band offsets of SnxZn1-x Te alloys.We show that the bowing coefficients and band gaps of these alloys are sensitively composition dependent.Due to wave functions full overlapping and delocalization of the Sn outermost p orbits and Zn s orbits,the coupling between these states is very strong,resulting in a significant downshift of conduction band edge with the increase of the Sn concentration x,While the valence band edge keeps almost unchanged compared with that of the binary ZnTe,thus improving the possibility for ambipolar-doping. |
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Keywords: | SnxZn-x Te bowing coefficient band offset ambipolar doping |
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