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

Gallium nitride (GaN) and its allied binaries InN and AIN as well as their ternary compounds have gained an unprecedented attention due to their wide-ranging applications encompassing green, blue, violet, and ultraviolet (UV) emitters and detectors (in photon ranges inaccessible by other semiconductors) and high-power amplifiers. However, even the best of the three binaries, GaN, contains many structural and point defects caused to a large extent by lattice and stacking mismatch with substrates. These defects notably affect the electrical and optical properties of the host material and can seriously degrade the performance and reliability of devices made based on these nitride semiconductors. Even though GaN broke the long-standing paradigm that high density of dislocations precludes acceptable device performance, point defects have taken the center stage as they exacerbate efforts to increase the efficiency of emitters, increase laser operation lifetime, and lead to anomalies in electronic devices. The p...

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Luminescence properties of defects in GaN

The role of extended and point defects, and key impurities such as C, O, and H, on the electrical and optical properties of GaN is reviewed. Recent progress in the development of high reliability contacts, thermal processing, dry and wet etching techniques, implantation doping and isolation, and gate insulator technology is detailed. Finally, the performance of GaN-based electronic and photonic devices such as field effect transistors, UV detectors, laser diodes, and light-emitting diodes is covered, along with the influence of process-induced or grown-in defects and impurities on the device physics.

Gan : processing, defects, and devices

The large frequency shift displayed by the longitudinal optical (LO) phonons A1(LO) and E1(LO) when going from GaN to AlN promises an accurate determination of the composition in AlxGa1−xN bulk layers by Raman spectroscopy. However, this determination is affected by a large uncertainty for low Al mole fractions (x<0.20), due to the broadened spectral line shape exhibited by these modes. A detailed study of Raman spectra recorded on layers with x<0.27, grown either on sapphire or on silicon substrates, has been performed in order to elucidate the origin of that broadening. The influence on the A1(LO) line shape of the sapphire substrate modes, compositional inhomogeneities, residual strain, and those effects inherent to the lattice dynamics of ternary alloys, is analyzed. We conclude that the broadening is caused by intrinsic inhomogeneities of the microscopic polarization fields resulting from alloying. This effect is usually obscured in other III–V compounds, such as arsenides or phosphides, due to their...

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Interplay between GaN and AlN sublattices in wurtzite AlxGa1-xN alloys revealed by raman spectroscopy

The generation of deep levels in GaAS0.6 P0.4 electroluminescent diodes during forward-bias degradation has been studied by transient capacitance techniques. By comparison with the native trapping centres, it is concluded that only hole trap concentration increases during aging. This result is correlated through current/voltage, light/current, reverse-recovery-time and infrared-radiation measurements.

Deep-level changes associated with the degradation of GaAs0.6 P0.4 l.e.d.s

We propose to model the spectral response of p - n junction photodetectors based on gallium nitride and related AlGaN alloys. The model is based on the resolution of the differential equations that govern the excess carrier variation in each layer of the photodiode taking into account all the physical parameters, in particular the presence of deep trap levels in the forbidden gap. We notice that the theoretical results are in good agreement with the experiments. We have also analysed the effect of the recombination velocity at the illuminated surface, as well as the impact of the thickness and the doping density of the p -type layer (illuminated zone) on the spectral response magnitude.

Modeling of the spectral response of AlxGa1-xN p-n junction photodetectors

Improvement in the Schottky behavior of metal (Au) contacts with Mg0.01Zn0.99O and Mg0.01Zn0.99O:N thin films were observed by treating the films with hydrogen peroxide (H2O2) (dipping of samples in H2O2 at 100 _C for 3 min). Contacts formed on untreated film showed Ohmic behavior in the current-voltage (I-V ) measurements. The H2O2 treatment led to a smooth surface morphology for the films and resulted in Schottky contact of Au fabricated on the treated films with barrier heights of 0.82≈0.85 eV. The absolute current density at a reverse bias of 3 V was 1≈6 × 10−6 A/cm2 for Au contacts on H2O2-treated films. The treated films showed lower electron concentration than the untreated films due to removal of the relatively high conducting top layers of the thin films. A metal-semiconductor-metal (MSM) detector was fabricated using a Mg0.05Zn0.95O:N film and was characterized for its spectral response.

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Growth of Nitrogen-Doped MgxZn1-xO for Use in Visible Rejection Photodetectors

Expressions for the field distribution in novel clamped or free-standing piezoelectric strained InGaAs/GaAs superlattices are given. The voltage for miniband formation can be selected by incorporating these structures into p-i-n diodes, without requiring strain compensation between wells and barriers. This feature is evidenced by the photocurrent spectra and photocapacitance versus voltage characteristics obtained from high quality 40-period (111)-oriented superlattices. Wannier-Stark localization and resonant transport of carriers have been observed in the piezoelectric superlattices. The In concentration, thickness of the superlattice period and strain relaxation are deduced from X-ray measurements.

https://iopscience.iop.org/article/10.1088/0268-1242/10/8/022/pdf

E. Muñoz

Papers

Interplay between GaN and AlN sublattices in wurtzite AlxGa1-xN alloys revealed by raman spectroscopy

Deep-level changes associated with the degradation of GaAs0.6 P0.4 l.e.d.s

Modeling of the spectral response of AlxGa1-xN p-n junction photodetectors

Growth of Nitrogen-Doped MgxZn1-xO for Use in Visible Rejection Photodetectors

Design and characterization of (111)B InGaAs/GaAs piezoelectric superlattices