中国物理B ›› 2018, Vol. 27 ›› Issue (5): 58101-058101.doi: 10.1088/1674-1056/27/5/058101

• INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY • 上一篇    下一篇

Band offset and electronic properties at semipolar plane AlN(1101)/diamond heterointerface

Kong-Ping Wu(吴孔平), Wen-Fei Ma(马文飞), Chang-Xu Sun(孙昌旭), Chang-Zhao Chen(陈昌兆), Liu-Yi Ling(凌六一), Zhong-Gen Wang(王仲根)   

  1. School of Electrical and Information Engineering, Anhui University of Science and Technology, Huainan 232001, China
  • 收稿日期:2018-01-04 修回日期:2018-03-11 出版日期:2018-05-05 发布日期:2018-05-05
  • 通讯作者: Kong-Ping Wu E-mail:kongpingwu@126.com
  • 基金资助:
    Project supported by the Scholarship Council of China (Grant No.201508340047),the Postdoctoral Science Foundation of China (Grant No.2016M601993),the Postdoctoral Science Foundation of Anhui Province,China (Grant No.2017B215),and the Anhui Province University Outstanding Talent Cultivation Program,China (Grant No.gxfxZD2016077).

Band offset and electronic properties at semipolar plane AlN(1101)/diamond heterointerface

Kong-Ping Wu(吴孔平), Wen-Fei Ma(马文飞), Chang-Xu Sun(孙昌旭), Chang-Zhao Chen(陈昌兆), Liu-Yi Ling(凌六一), Zhong-Gen Wang(王仲根)   

  1. School of Electrical and Information Engineering, Anhui University of Science and Technology, Huainan 232001, China
  • Received:2018-01-04 Revised:2018-03-11 Online:2018-05-05 Published:2018-05-05
  • Contact: Kong-Ping Wu E-mail:kongpingwu@126.com
  • Supported by:
    Project supported by the Scholarship Council of China (Grant No.201508340047),the Postdoctoral Science Foundation of China (Grant No.2016M601993),the Postdoctoral Science Foundation of Anhui Province,China (Grant No.2017B215),and the Anhui Province University Outstanding Talent Cultivation Program,China (Grant No.gxfxZD2016077).

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摘要： Tailoring the electronic states of the AlN/diamond interface is critical to the development of the next-generation semiconductor devices such as the deep-ultraviolet light-emitting diode, photodetector, and high-power high-frequency field-effect transistor. In this work, we investigate the electronic properties of the semipolar plane AlN(1101)/diamond heterointerfaces by using the first-principles method with regard to different terminated planes of AlN and surface structures of diamond (100) plane. A large number of gap states exist at semi-polar plane AlN(1101)/diamond heterointerface, which results from the N 2p and C 2s2p orbital states. Besides, the charge transfer at the interface strongly depends on the surface termination of diamond, on which hydrogen suppresses the charge exchange at the interface. The band alignments of semi-polar plane AlN(1101)/diamond show a typical electronic character of the type-Ⅱ staggered band configuration. The hydrogen-termination of diamond markedly increases the band offset with a maximum valence band offset of 2.0 eV and a conduction band offset of 1.3 eV for the semi-polar plane N-AlN(1101)/hydrogenated diamond surface. The unique band alignment of this Type-Ⅱ staggered system with the higher CBO and VBO of the semi-polar AlN/HC(100) heterostructure provides an avenue to the development of robust high-power high-frequency power devices.

关键词: diamond, heterointerface, charge transfer, band offset

Abstract: Tailoring the electronic states of the AlN/diamond interface is critical to the development of the next-generation semiconductor devices such as the deep-ultraviolet light-emitting diode, photodetector, and high-power high-frequency field-effect transistor. In this work, we investigate the electronic properties of the semipolar plane AlN(1101)/diamond heterointerfaces by using the first-principles method with regard to different terminated planes of AlN and surface structures of diamond (100) plane. A large number of gap states exist at semi-polar plane AlN(1101)/diamond heterointerface, which results from the N 2p and C 2s2p orbital states. Besides, the charge transfer at the interface strongly depends on the surface termination of diamond, on which hydrogen suppresses the charge exchange at the interface. The band alignments of semi-polar plane AlN(1101)/diamond show a typical electronic character of the type-Ⅱ staggered band configuration. The hydrogen-termination of diamond markedly increases the band offset with a maximum valence band offset of 2.0 eV and a conduction band offset of 1.3 eV for the semi-polar plane N-AlN(1101)/hydrogenated diamond surface. The unique band alignment of this Type-Ⅱ staggered system with the higher CBO and VBO of the semi-polar AlN/HC(100) heterostructure provides an avenue to the development of robust high-power high-frequency power devices.

Key words: diamond, heterointerface, charge transfer, band offset

中图分类号:  (Diamond)

  • 81.05.ug
73.20.At (Surface states, band structure, electron density of states) 81.05.Ea (III-V semiconductors) 74.25.F- (Transport properties)