Progress on energy band structure studies of wide-band-gap  semiconductors in NSRL

XU Pengshou  XIE Changkun  SUN Yuming  XU Faqiang   DENG Rui  PAN Haibin  SHIChaoshu

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Progress on energy band structure studies of wide-band-gap semiconductors in NSRL

更新时间：2021-03-12

- Progress on energy band structure studies of wide-band-gap semiconductors in NSRL
- NUCLEAR TECHNIQUES Issue 6, (2003)
- 作者机构：
  
  1. 中国科技大学国家同步辐射实验室
  2. 中国科技大学国家同步辐射实验室,合肥,230029
- 作者简介：
- 基金信息：
  
  国家自然科学基金(50132040);中国科学院知识创新项目资助
- DOI：
  CLC： O471.5
- Published：01 June 2003
- 稿件说明：
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[1]徐彭寿,谢长坤,孙玉明,徐法强,邓锐,潘海斌,施朝淑.NSRL在宽带隙半导体能带结构的研究进展[J].核技术,2003(06):409-412.

XU Pengshou XIE Changkun SUN Yuming XU Faqiang DENG Rui PAN Haibin SHIChaoshu. Progress on energy band structure studies of wide-band-gap semiconductors in NSRL[J]. Nuclear techniques, 2003, (6): 409-412.
[1]徐彭寿,谢长坤,孙玉明,徐法强,邓锐,潘海斌,施朝淑.NSRL在宽带隙半导体能带结构的研究进展[J].核技术,2003(06):409-412. DOI：

XU Pengshou XIE Changkun SUN Yuming XU Faqiang DENG Rui PAN Haibin SHIChaoshu. Progress on energy band structure studies of wide-band-gap semiconductors in NSRL[J]. Nuclear techniques, 2003, (6): 409-412. DOI：

摘要

综述了中国科技大学国家同步辐射实验室（NSRL）在宽带隙半导体能带结构的研究进展。首次利用全势线性Muffin-tin 轨道（FP-LMTO）方法

计算了ZnO及其几种本征点缺陷的能带结构

从理论上证明了Zn填隙是引起ZnO的本征n型导电性的主要原因

并讨论了它们对ZnO的光谱特性的影响。利用同步辐射角分辨光电子能谱技术研究了纤锌矿结构GaN（0001）体态和表面态的能带色散。首次通过全势缀加平面波（FPLAPW）方法

对β-SiC（110）表面进行了第一性原理计算。我们的计算结果显示出顶层Si-C键长收缩且发生扭转的驰豫特性

而表面弛豫实现了从金属性到半导体性质的转变。

Abstract

In this paper

we report the progress on energy band structure studies of wide-band-gap semiconductors in NSRL. The energy band structure of ZnO and its native point defects have been calculated by using FP-LMTO method for the first time. We confirmed theoretically that Zn is the main factor to induce the native n-type conductiv-ity in ZnO

which effects on the spectral properties of ZnO are also discussed. The energy band dispersion of both bulk and surface states on wurtzite GaN(0001) has been studied by using synchrotron radiation angle resolved photo-electron spectroscopy (SRARPES). A theoretical calculation of the atomic and electronic structure of β-SiC(110) surface is also presented by using FPLAPW method for the first time. The results show that the surface is char-acterized by a top-layer bond-length-contracting rotation relaxation and the surface relaxation induces the change from metallic to semiconducting characterization.

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