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

Memory effects on piezoelectric InGaAs/GaAs MQW PIN diodes

Photocapacitance techniques have been used to study the electronic properties of (In,Ga)N/GaN quantum wells (QWs). Negative differential capacitance (NDC) features were observed at room temperature for the first time in capacitance-voltage (C-V) experiments under optical excitation. A detailed analysis of the results seems to indicate that charge accumulation in quantum dot-like structures embedded in the QWs could be responsible of such behaviour. Polarization field effects present in these structures are detected through C-V hysteresis, allowing to estimate built-in electric fields as high as 1.9 MV/cm in 14% In QWs. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

Photocapacitance characteristics of (In,Ga)N/GaN MQW structures

In [111]-oriented InGaAs/GaAs multiple quantum wells and superlattices, the field in the wells, barriers, and the average electric field, are deduced using simple analytical expressions. The influence of the design parameters on the conduction-band profile and optoelectronics properties of strained piezoelectric p-i-n diodes is presented. In samples with negative average electric field, transient photocurrent response and photocapacitance-voltage characteristics clearly reveal that carriers accumulate at the extremes of the active region, giving rise to a long-range screening effect of the field in the wells. Coupled quantum wells and piezoelectric superlattices have been studied by photocapacitance techniques, and the revealed features were explained as due to carrier sequential tunneling and accumulation processes.

Field control in piezoelectric [111]-oriented InGaAs/GaAs MQW and superlattice devices

Carrier Capture Processes at DX Centers

In this work, hydrogenated silicon nitride (SiNx:Hy) grown by chemical vapour deposition as passivant layers for high electron mobility transistors (HEMT) have been studied. The film composition and bonding structure were determined by ion beam analysis and x-ray absorption spectroscopy techniques, respectively. The effects of gas precursors (SiH4/N2 and SiH4/NH3) and film/substrate interface on the film growth have been addressed. The growth on different substrates (Si, GaN, AlGaN), and the effects of plasma pre-treatments have been studied before the growth and the film growth evolution. Results yield no significant differences in all the analysed samples. This points out the relevant role of SiHn radicals as growth precursor species and that intrinsic characteristics of the SiNx:Hy layers are not affected by the film/substrate interface. Hence, improved performance of HEMT with surface plasma pre-treatments before passivation should be related to extrinsic mechanisms (such as creation of defects in AlGaN surface, removal of the surface contamination or ion-induced roughness). (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

E. Muñoz

Papers

Memory effects on piezoelectric InGaAs/GaAs MQW PIN diodes

Photocapacitance characteristics of (In,Ga)N/GaN MQW structures

Field control in piezoelectric [111]-oriented InGaAs/GaAs MQW and superlattice devices

Carrier Capture Processes at DX Centers

Study of SiNx:Hy passivant layers for AlGaN/GaN high electron mobility transistors