Liang Dan, Zhu Pengfei, Han Lihong, Zhang Tao, Li Yang, Li Shanjun, Wang Shumin, Lu Pengfei
State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing, 100876, China.
College of Electrical Engineering and Information Technology, Sichuan University, Chengdu, 610065, China.
Nanoscale Res Lett. 2019 May 28;14(1):178. doi: 10.1186/s11671-019-2968-0.
To realize feasible band structure engineering and hence enhanced luminescence efficiency, InGaNBi is an attractive alloy which may be exploited in photonic devices of visible light and mid-infrared. In present study, the structural, electronic properties such as bandgap, spin-orbit splitting energy, and substrate strain of InGaNBi versus In and Bi compositions are studied by using first-principles calculations. The lattice parameters increase almost linearly with increasing In and Bi compositions. By bismuth doping, the quaternary InGaNBi bandgap could cover a wide energy range from 3.273 to 0.651 eV for Bi up to 9.375% and In up to 50%, corresponding to the wavelength range from 0.38-1.9 µm. The calculated spin-orbit splitting energy are about 0.220 eV for 3.125%, 0.360 eV for 6.25%, and 0.600 eV for 9.375% Bi, respectively. We have also shown the strain of InGaNBi on GaN; it indicates that through adjusting In and Bi compositions, InGaNBi can be designed on GaN with an acceptable strain.
为了实现可行的能带结构工程并因此提高发光效率，InGaNBi是一种有吸引力的合金，可用于可见光和中红外光子器件。在本研究中，通过第一性原理计算研究了InGaNBi的结构、电子性质，如带隙、自旋轨道分裂能和衬底应变与In和Bi成分的关系。晶格参数随In和Bi成分的增加几乎呈线性增加。通过铋掺杂，对于Bi含量高达9.375%和In含量高达50%的情况，四元InGaNBi带隙可覆盖从3.273到0.651 eV的宽能量范围，对应于0.38 - 1.9 µm的波长范围。计算得到的自旋轨道分裂能对于3.125%的Bi约为0.220 eV，对于6.25%的Bi约为0.360 eV，对于9.375%的Bi约为0.600 eV。我们还展示了InGaNBi在GaN上的应变；这表明通过调整In和Bi成分，可以在GaN上设计出具有可接受应变的InGaNBi。
