Solís-Cisneros Horacio I, Hu Yaoqiao, Camas-Anzueto Jorge L, Grajales-Coutiño Rubén, Anwar Abdur-Rehman, Martínez-Revuelta Rubén, Hernández-de-León Héctor R, Hernández-Gutiérrez Carlos A
Optomechatronics Group, Tecnológico Nacional de México Campus Tuxtla Gutiérrez, Carretera Panamericana Km 1080, Tuxtla Gutiérrez 29050, Mexico.
Department of Materials Science and Engineering, The University of Texas at Dallas, Richardson, TX 75080, USA.
Nanomaterials (Basel). 2022 Dec 6;12(23):4347. doi: 10.3390/nano12234347.
In this work, an AlGaN-based Deep-Ultraviolet Light-Emitting Diode structure has been designed and simulated for the zincblende and wurtzite approaches, where the polarization effect is included. DFT analysis was performed to determine the band gap direct-to-indirect cross-point limit, AlN carrier mobility, and activation energies for p-type dopants. The multiple quantum wells analysis describes the emission in the deep-ultraviolet range without exceeding the direct-to-indirect bandgap cross-point limit of around 77% of Al content. Moreover, the quantum-confined Stark effect on wavefunctions overlapping has been studied, where Al-graded quantum wells reduce it. Both zincblende and wurtzite have improved electrical and optical characteristics by including a thin AlGaN with low Al content. Mg and Be acceptor activation energies have been calculated at 260 meV and 380 meV for Be and Mg acceptor energy, respectively. The device series resistance has been decreased by using Be instead of Mg as the p-type dopant from 3 kΩ to 0.7 kΩ.
在这项工作中，针对闪锌矿和纤锌矿结构设计并模拟了一种基于AlGaN的深紫外发光二极管结构，其中考虑了极化效应。进行了密度泛函理论（DFT）分析，以确定带隙直接到间接的交叉点极限、AlN载流子迁移率以及p型掺杂剂的激活能。多量子阱分析描述了在深紫外范围内的发射，且不超过Al含量约77%时的直接到间接带隙交叉点极限。此外，研究了量子限制斯塔克效应（QCSE）对波函数重叠的影响，其中Al渐变量子阱可降低该效应。通过包含低Al含量的薄AlGaN，闪锌矿和纤锌矿结构的电学和光学特性均得到了改善。分别计算出Be和Mg受主的激活能为260 meV和380 meV。通过使用Be替代Mg作为p型掺杂剂，器件的串联电阻从3 kΩ降低到了0.7 kΩ。
