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

First-principles calculations have evolved from mere aids in explaining and supporting experiments to powerful tools for predicting new materials and their properties. In the first part of this review we describe the state-of-the-art computational methodology for calculating the structure and energetics of point defects and impurities in semiconductors. We will pay particular attention to computational aspects which are unique to defects or impurities, such as how to deal with charge states and how to describe and interpret transition levels. In the second part of the review we will illustrate these capabilities with examples for defects and impurities in nitride semiconductors. Point defects have traditionally been considered to play a major role in wide-band-gap semiconductors, and first-principles calculations have been particularly helpful in elucidating the issues. Specifically, calculations have shown that the unintentional n-type conductivity that has often been observed in as-grown GaN cannot be a...

First-principles calculations for defects and impurities: Applications to III-nitrides

We present a comprehensive and up-to-date compilation of band parameters for all of the nitrogen-containing III–V semiconductors that have been investigated to date. The two main classes are: (1) “conventional” nitrides (wurtzite and zinc-blende GaN, InN, and AlN, along with their alloys) and (2) “dilute” nitrides (zinc-blende ternaries and quaternaries in which a relatively small fraction of N is added to a host III–V material, e.g., GaAsN and GaInAsN). As in our more general review of III–V semiconductor band parameters [I. Vurgaftman et al., J. Appl. Phys. 89, 5815 (2001)], complete and consistent parameter sets are recommended on the basis of a thorough and critical review of the existing literature. We tabulate the direct and indirect energy gaps, spin-orbit and crystal-field splittings, alloy bowing parameters, electron and hole effective masses, deformation potentials, elastic constants, piezoelectric and spontaneous polarization coefficients, as well as heterostructure band offsets. Temperature an...

Band parameters for nitrogen-containing semiconductors

A common misconception is that the irradiation of solids with energetic electrons and ions has exclusively detrimental effects on the properties of target materials. In addition to the well-known cases of doping of bulk semiconductors and ion beam nitriding of steels, recent experiments show that irradiation can also have beneficial effects on nanostructured systems. Electron or ion beams may serve as tools to synthesize nanoclusters and nanowires, change their morphology in a controllable manner, and tailor their mechanical, electronic, and even magnetic properties. Harnessing irradiation as a tool for modifying material properties at the nanoscale requires having the full microscopic picture of defect production and annealing in nanotargets. In this article, we review recent progress in the understanding of effects of irradiation on various zero-dimensional and one-dimensional nanoscale systems, such as semiconductor and metal nanoclusters and nanowires, nanotubes, and fullerenes. We also consider the t...

Ion and electron irradiation-induced effects in nanostructured materials

Irradiating solids with energetic particles is usually thought to introduce disorder, normally an undesirable phenomenon. But recent experiments on electron or ion irradiation of various nanostructures demonstrate that it can have beneficial effects and that electron or ion beams may be used to tailor the structure and properties of nanosystems with high precision. Moreover, in many cases irradiation can lead to self-organization or self-assembly in nanostructures. In this review we survey recent advances in the rapidly evolving area of irradiation effects in nanostructured materials, with particular emphasis on carbon systems because of their technological importance and the unique ability of graphitic networks to reconstruct under irradiation. We dwell not only on the physics behind irradiation of nanostructures but also on the technical applicability of irradiation for nanoengineering of carbon and other systems.

Engineering of nanostructured carbon materials with electron or ion beams

Molecular-beam-epitaxial GaAs grown at very low temperatures (\ensuremath{\sim}200 \ifmmode^\circ\else\textdegree\fi{}C) exhibits anomalous Hall-effect properties. Here we show conclusively that the room-temperature conduction is due to activated (nearest-neighbor) hopping in a deep defect band of concentration 3\ifmmode\times\else\texttimes\fi{}${10}^{19}$ ${\mathrm{cm}}^{\mathrm{\ensuremath{-}}3}$, and energy ${\mathit{E}}_{\mathit{c}}$-0.75 eV, along with conduction due to free carriers thermally excited from this band. At low measurement temperatures, variable-range hopping [\ensuremath{\sigma}\ensuremath{\propto}exp(-${\mathit{T}}_{0}$/T${)}^{1/4}$] prevails. The conduction-band mobility can be well explained by neutral-deep-donor scattering in parallel with lattice scattering.

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Anomalous hall-effect results in low-temperature molecular-beam-epitaxial GaAs : hopping in a dense EL2-like band

Introduction to long-wavelength infrared quantum detectors theoretical modeling of the intersubband transitions in III-V semiconductor multiple quantum wells far-infrared materials based on InAs/GaInSb type II strained-layer superlattices infrared detectors using SiGe/Si quantum well structures type III superlattices for long-wavelength infrared detectors - the Hg/TeCaTe system.

Semiconductor Quantum Wells and Superlattices for Long-Wavelength Infrared Detectors

Infrared optical absorption and Hall-effect techniques were employed to study deep defects in As-rich molecular-beam-epitaxial GaAs layers grown at very low temperature (200 \ifmmode^\circ\else\textdegree\fi{}C). A large ir absorption band was observed between 0.55 eV and the band edge. This band is composed of photoquenchable and photounquenchable components. Photoquenching, thermal recovery from the metastable state, and ir absorption properties of the quenchable defect, of estimated concentration of \ensuremath{\sim}3\ifmmode\times\else\texttimes\fi{}${10}^{18}$ ${\mathrm{cm}}^{\mathrm{\ensuremath{-}}3}$, are identical to those of EL2. On the other hand, the unquenchable defect, of estimated concentration \ensuremath{\sim}3\ifmmode\times\else\texttimes\fi{}${10}^{19}$ ${\mathrm{cm}}^{\mathrm{\ensuremath{-}}3}$, resembles the isolated ${\mathrm{As}}_{\mathrm{Ga}}$ antisite observed in neutron-irradiated GaAs. Both defects' concentrations, which show different isothermal annealing behavior are reduced by about an order of magnitude upon thermal annealing at 600 \ifmmode^\circ\else\textdegree\fi{}C for 10 min. This reduction is accompanied by an increase of sample resistivity by a few orders of magnitude.

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Infrared absorption of deep defects in molecular-beam-epitaxial GaAs layers grown at 200 °C: Observation of an EL 2-like defect

Optical absorption and photoluminescence techniques were used to investigate the energy band gap of CdSe∕ZnS core/shell nanocrystals matrixed into a resin. The band gap is measured as a function of temperature for several samples with different nanocrystal diameters. Debye and Einstein temperatures were obtained by fitting the energy band gap using two different empirical expressions. Stokes shift was estimated by taking the difference between the first exciton and emission peaks. The Stokes shift was found to increase as the nanocrystal diameter is decreased suggesting a stronger electron-phonon coupling in smaller size nanocrystals.

M. O. Manasreh

Papers

Anomalous hall-effect results in low-temperature molecular-beam-epitaxial GaAs : hopping in a dense EL2-like band

Semiconductor Quantum Wells and Superlattices for Long-Wavelength Infrared Detectors

Infrared absorption of deep defects in molecular-beam-epitaxial GaAs layers grown at 200 °C: Observation of an EL 2-like defect

Temperature dependence of the band gap of colloidal CdSe∕ZnS core/shell nanocrystals embedded into an ultraviolet curable resin

Surface plasmon enhanced intermediate band based quantum dots solar cell