Abstract：
OBJECTIVE: The paper aims to investigative the cacuses and impacts of In- and Vacancy-doped to 6H-SiC, expecting that improving optical properties of materials. Design-Using the first-principles calculations, we discuss the electronic structure and optical properties of different doped 6H-SiC systems.
RESULTS: The results show that In-doped 6H-SiC becomes a direct bandgap p-type semiconductor and the energy bandgap is reduced from the intrinsic 2.059 to 1.515 eV. We demonstrate the stability of the systems through the formation energy analysis, meanwhile identify their physical origins and discuss applications of all structures in electronic devices within optical analysis. Find the energy beginning values of the VSi-doped and VC-doped systems\' optical absorption spectrums and extend to 0.4 2 eV and 0.11 eV respectively compared with the original 3.23 eV. In the visible light region, the reflectivity images of the VC/VSi and (In, VSi)-codoped systems rise obviously.
CONCLUSIONS: The optical properties of all doping systems were analyzed to be improved compared with the intrinsic, all above mentioned provide a theoretical basis for the fabrication of spintronic and optical devices.
RESULTS: The results show that In-doped 6H-SiC becomes a direct bandgap p-type semiconductor and the energy bandgap is reduced from the intrinsic 2.059 to 1.515 eV. We demonstrate the stability of the systems through the formation energy analysis, meanwhile identify their physical origins and discuss applications of all structures in electronic devices within optical analysis. Find the energy beginning values of the VSi-doped and VC-doped systems\' optical absorption spectrums and extend to 0.4 2 eV and 0.11 eV respectively compared with the original 3.23 eV. In the visible light region, the reflectivity images of the VC/VSi and (In, VSi)-codoped systems rise obviously.
CONCLUSIONS: The optical properties of all doping systems were analyzed to be improved compared with the intrinsic, all above mentioned provide a theoretical basis for the fabrication of spintronic and optical devices.
摘要：
目的：本文旨在研究掺杂和空位对6H-SiC的危害和影响，期望提高材料的光学性能。设计-使用第一原理计算，我们讨论了不同掺杂6H-SiC体系的电子结构和光学性质。
结果：结果表明，In掺杂的6H-SiC成为直接带隙p型半导体，能带隙从本征2.059减小到1.515eV。我们通过地层能量分析证明了系统的稳定性，同时确定它们的物理起源，并讨论光学分析中所有结构在电子设备中的应用。找到VSi掺杂和VC掺杂系统的光吸收光谱的能量初始值，与原始3.23eV相比，分别扩展到0.42eV和0.11eV。在可见光区域,VC/VSi的反射率图像和(In，VSi)-共掺杂体系明显上升。
结论：分析了所有掺杂系统的光学性能，为自旋电子器件和光学器件的制备提供了理论基础。
结果：结果表明，In掺杂的6H-SiC成为直接带隙p型半导体，能带隙从本征2.059减小到1.515eV。我们通过地层能量分析证明了系统的稳定性，同时确定它们的物理起源，并讨论光学分析中所有结构在电子设备中的应用。找到VSi掺杂和VC掺杂系统的光吸收光谱的能量初始值，与原始3.23eV相比，分别扩展到0.42eV和0.11eV。在可见光区域,VC/VSi的反射率图像和(In，VSi)-共掺杂体系明显上升。
结论：分析了所有掺杂系统的光学性能，为自旋电子器件和光学器件的制备提供了理论基础。
