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

In this article, we present a crystallographic model to describe the epitaxial growth of wurtzite‐type thin films such as gallium nitride (GaN) on different orientations of sapphire (Al2O3) substrates. Through this model, we demonstrate the thin films grown on (00⋅1)Al2O3 have a better epilayer‐substrate interface quality than those grown on (01⋅2)Al2O3. We also show the epilayer grown on (00⋅1)Al2O3 are gallium‐terminated, and both (00⋅1) and (01⋅2) surfaces of sapphire crystals are oxygen‐terminated.

Crystallography of epitaxial growth of wurtzite-type thin films on sapphire substrates

High‐quality ultraviolet photoconductive detectors have been fabricated using GaN layers grown by low‐pressure metalorganic chemical vapor deposition on (11⋅0) sapphire substrates. The spectral responsivity remained nearly constant for wavelengths from 200 to 365 nm and dropped sharply by almost three orders of magnitude for wavelengths longer than 365 nm. The kinetics of the photoconductivity have been studied by the measurements of the frequency‐dependent photoresponse and photoconductivity decay. Strongly sublinear response and excitation‐dependent response time have been observed even at relatively low excitation levels. This can be attributed to redistribution of the charge carriers with increased excitation level.

Kinetics of photoconductivity in n‐type GaN photodetector

Very high power densities have been shown for both SiC MESFET and GaN HEMT devices. Both of these active devices benefit from the high breakdown voltages afforded by their wide-bandgap semiconductor properties. The GaN device also benefits from current densities as high as 1 A/mm. This high power density, along with good efficiency and linearity, provide an excellent base for future military and commercial power amplifier applications. High power densities are possible using narrow band power-matching networks. Although the gain-bandwidth limitation is exacerbated due to the high-impedance load lines required, high power design is possible even over multi-octave bandwidths.

Applications of SiC MESFETs and GaN HEMTs in power amplifier design

Single crystals of GaN were grown on (0001), (0112) Al2O3 and (0001)Si 6H‐SiC substrates using an atmospheric pressure metalorganic chemical‐vapor‐deposition reactor. The relationship has been studied between the thermal stability of the GaN films and the substrate’s surface polarity. It appeared that the N‐terminated (0001) GaN surface grown on (0001)Si 6H‐SiC has the most stable surface, followed by the nonpolar (1120) GaN surface grown on (0112) Al2O3, while the Ga‐terminated (0001) GaN surface grown on (0001) Al2O3 has the least stable surface. This is explained with the difference in the atomic configuration of each of these surfaces which induces a difference in their thermal decomposition.

Thermal stability of GaN thin films grown on (0001) Al2O3, (011̄2) Al2O3 and (0001)Si 6H‐SiC substrates

Large‐area GaN photovoltaic structures with p‐n junctions have been fabricated using atmospheric pressure metalorganic chemical vapor deposition. The photovoltaic devices typically exhibit selective spectral characteristics with two narrow peaks of opposite polarity. This can be related to p‐n junction connected back‐to‐back with a Schottky barrier. The shape of the spectral characteristic is dependent on the thickness of the n‐ and p‐type regions. The diffusion length of holes in the n‐type GaN region, estimated by theoretical modeling of the spectral response shape, was about 0.1 μm.

Adam William Saxler

Papers

Crystallography of epitaxial growth of wurtzite-type thin films on sapphire substrates

Kinetics of photoconductivity in n‐type GaN photodetector

Applications of SiC MESFETs and GaN HEMTs in power amplifier design

Thermal stability of GaN thin films grown on (0001) Al2O3, (011̄2) Al2O3 and (0001)Si 6H‐SiC substrates

Photovoltaic effects in GaN structures with p‐n junctions