Band-tail Formation and Band-gap Narrowing Driven by Polar Optical Phonons and Charged Impurities in Atomically Resolved III-V Semiconductors and Nanodevices

In semiconductor physics, interaction of electrons with environmental disorder (phonons, impurity atoms, or other electrons) is important in shaping the band structure. These interactions result in ``tailing'' of the density of states near band edges, and band-gap narrowing. Using atomistic transport calculations with nonlocal scattering, this study assesses the impact of two important effects on band tailing and gap narrowing in I00exI00exI-V compounds. Theoreticians modeling nanodevices will appreciate the benchmarked scattering models and formulas, while the predictions of band-gap narrowing and Urbach tails will appeal to experimentalists as they quantify their creations.