Wigner-Weyl description of light absorption in disordered semiconductor alloys using the localization landscape theory

TL;DR

This paper introduces a computational model based on Wigner-Weyl analysis and localization landscape theory to simulate light absorption in disordered semiconductor alloys, capturing quantum localization effects efficiently.

Contribution

The novel model combines Wigner-Weyl analysis with localization landscape theory to accurately simulate optoelectronic responses in disordered semiconductors at the nano-scale.

Findings

Validated against eigenstate computations in 1D and 2D

Computed detailed absorption tail structures and Urbach energies in 3D InGaN alloys

Generated 3D maps of locally absorbed power across frequencies

Abstract

The presence of disorder in semiconductors can dramatically change their physical properties. Yet, models faithfully accounting for it are still scarce and computationally inefficient. We present a mathematical and computational model able to simulate the optoelectronic response of semiconductor alloys of several tens of nanometer sidelength, while at the same time accounting for the quantum localization effects induced by the compositional disorder at the nano-scale. The model is based on a Wigner-Weyl analysis of the structure of electron and hole eigenstates in phase space made possible by the localization landscape theory. After validation against eigenstates-based computations in 1D and 2D, our model is applied to the computation of light absorption in 3D InGaN alloys of different compositions. We obtain the detailed structures of the absorption tail below the average bandgap and the Urbach energies of all simulated compositions. Moreover, the Wigner-Weyl formalism allows us to define and compute 3D maps of the effective locally absorbed power at all frequencies. Finally the proposed approach opens the way to generalize this method to all energy-exchange processes such as radiative and non-radiative recombination in realistic devices.