We present a comprehensive, up-to-date compilation of band parameters for the technologically important III–V zinc blende and wurtzite compound semiconductors: GaAs, GaSb, GaP, GaN, AlAs, AlSb, AlP, AlN, InAs, InSb, InP, and InN, along with their ternary and quaternary alloys. Based on a review of the existing literature, complete and consistent parameter sets are given for all materials. Emphasizing the quantities required for band structure calculations, we tabulate the direct and indirect energy gaps, spin-orbit, and crystal-field splittings, alloy bowing parameters, effective masses for electrons, heavy, light, and split-off holes, Luttinger parameters, interband momentum matrix elements, and deformation potentials, including temperature and alloy-composition dependences where available. Heterostructure band offsets are also given, on an absolute scale that allows any material to be aligned relative to any other.

Band parameters for III–V compound semiconductors and their alloys

We have performed an ab initio investigation for a series of boron compounds, BP, BAs, and BSb, and have compared their structural and electronic properties with those of c-BN. The calculations are performed using a plane-wave expansion within the local density approximation and the pseudopotential approximation. Results are given for lattice constants, bulk moduli, band structures, and band-gap pressure coefficients. The electronic properties of these compounds are shown to have features that differ from those of other III-V materials. We found that the direct-band-gap pressure coefficient in boron compounds is nearly independent of the anion substitutions. As a result, this trend is similar to the one resulting from cation substitutions in other zinc-blende compounds. This is another anomalous behaviour which can be characterized by reversing the standard assignments for the anion and cation in these compounds.

https://iopscience.iop.org/article/10.1088/0953-8984/12/26/312/pdf

Trends in band-gap pressure coefficients in boron compounds BP, BAs, and BSb

We first introduce the Maxwell’s equations about the electromagnetic field and the Hamiltonian of electron in the electromagnetic field from which we obtain the formula for light-matter interaction which forms the base for the optical electronics. We discuss the general absorption and emission spectra of nanostructure materials. Major focus of the rest of the chapter is about electron-hole pair, i.e., exciton in nanostructures which is the base for the fast developing nanophotonics.

Optical Properties of Semiconductors

Lead halide perovskites, which are causing a paradigm shift in photovoltaics, exhibit an atypical temperature dependence of the fundamental gap: it decreases in energy with decreasing temperature. ...

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Equal Footing of Thermal Expansion and Electron-Phonon Interaction in the Temperature Dependence of Lead Halide Perovskite Band Gaps.

Compound semiconductor alloys such as InxGa1−xAs, GaAsxP1−x, or CuInxGa1−xSe2 are increasingly employed in numerous electronic, optoelectronic, and photonic devices due to the possibility of tuning their properties over a wide parameter range simply by adjusting the alloy composition. Interestingly, the material properties are also determined by the atomic-scale structure of the alloys on the subnanometer scale. These local atomic arrangements exhibit a striking deviation from the average crystallographic structure featuring different element-specific bond lengths, pronounced bond angle relaxation and severe atomic displacements. The latter, in particular, have a strong influence on the bandgap energy and give rise to a significant contribution to the experimentally observed bandgap bowing. This article therefore reviews experimental and theoretical studies of the atomic-scale structure of III-V and II-VI zincblende alloys and I-III-VI2 chalcopyrite alloys and explains the characteristic findings in terms...

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Compound semiconductor alloys: From atomic-scale structure to bandgap bowing

We present the results of a first-principles calculation of the direct band-gap pressure coefficient a{sub g} for a series of Ga and In semiconductor compounds with both the chalcopyrite (e.g., CuGaSe{sub 2} and CuInSe{sub 2}) and the zinc-blende structures (e.g., GaAs and InAs). We found good agreement between the calculated and experimental pressure coefficients. We found that a{sub g} in chalcopyrites are dramatically reduced relative to zinc-blende compounds, and that the Ga{r_arrow}In substitution lowers a{sub g} in chalcopyrites more than in zinc-blende compounds. As a result, the empirical rule suggested for zinc-blende compounds, stating that for a given transition (e.g., {Gamma}{sub 15v}{r_arrow}{Gamma}{sub 1c}) a{sub g} does not depend on substitutions, has to be modified for chalcopyrites. Based on our results we question the currently accepted experimental value for CuInTe{sub 2} (2.2 meV/kbar); we calculate this value to be close to 5.9 meV/kbar. {copyright} {ital 1998} {ital The American Physical Society}

In-Hwan Choi

Papers

Trends in band-gap pressure coefficients in chalcopyrite semiconductors