Open Boundary Quantum LED Simulator (OBQ-LEDsim) is the next-generation self-consistent quantum-corrected drift-diffusion simulator that eliminates artificial boundaries between quantum wells and classical continuum. The Schrödinger equation is solved by the variational method and the proposed trial wavefunction naturally satisfies the boundary condition where the wavefunction vanishes at infinity. The Schrödinger solver is then incorporated into the classical drift-diffusion solver by means of Schrödinger–Poisson iterations and Bohm potentials–quantum corrections to the electric potentials.

OBQ-LEDsim offers multiple benefits. First, it eliminates the discontinuities of carrier concentrations caused by the artificial boundary conditions. Second, it numerically captures the wavefunction penetration into barriers and other regions. Third, the recombination rates outside active regions are modeled with higher accuracy than the state-of-the-art software. Finally, the analytical wavefunction can be used to model quantum-confined Stark effects and excitonic effects in various kinds of quantum well structures.

Details of OBQ-LEDsim have been published at

J. Lee, J.-P. Leburton, and C. Bayram, “Design tradeoffs between traditional hexagonal and emerging cubic In X Ga (1–X) N/GaN-based green light-emitting diodes,” J. Opt. Soc. Am. B, vol. 40, no. 5, p. 1017, May 2023, doi: 10.1364/JOSAB.483832.

Y.-C. Tsai, C. Bayram, and J.-P. Leburton, “Interplay between Auger Recombination, Carrier Leakage, and Polarization in InGaAlN Multiple-Quantum-Well Light-Emitting Diodes,” J. Appl. Phys., vol. 131, 193102 May 2022. DOI: https://doi.org/10.1063/5.0089463

Y.-C. Tsai, J.-P. Leburton, and C. Bayram, “Quenching of the Efficiency Droop in Cubic Phase InGaAlN Light-Emitting Diodes,” IEEE Trans. Electron Devices, vol. 69, no. 6, pp. 3240–3245, Jun. 2022, DOI: 10.1109/TED.2022.3167645.

Y.-C. Tsai, C. Bayram and J.-P. Leburton, “Effect of Auger Electron-Hole Asymmetry on the Efficiency Droop in InGaN Quantum Well Light-Emitting Diodes,” IEEE J. Quantum Electron., vol. 58, no. 1, pp. 1-9, Feb. 2022. DOI: 10.1109/JQE.2021.3137822.

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