The Al x Ga1−x As/GaAs heterostructure system is potentially useful material for high‐speed digital, high‐frequency microwave, and electro‐optic device applications Even though the basic Al x Ga1−x As/GaAs heterostructure concepts are understood at this time, some practical device parameters in this system have been hampered by a lack of definite knowledge of many material parameters Recently, Blakemore has presented numerical and graphical information about many of the physical and electronic properties of GaAs [J S Blakemore, J Appl Phys 5 3, R123 (1982)] The purpose of this review is (i) to obtain and clarify all the various material parameters of Al x Ga1−x As alloy from a systematic point of view, and (ii) to present key properties of the material parameters for a variety of research works and device applications A complete set of material parameters are considered in this review for GaAs, AlAs, and Al x Ga1−x As alloys The model used is based on an interpolation scheme and, therefore, necessitates known values of the parameters for the related binaries (GaAs and AlAs) The material parameters and properties considered in the present review can be classified into sixteen groups: (1) lattice constant and crystal density, (2) melting point, (3) thermal expansion coefficient, (4) lattice dynamic properties, (5) lattice thermal properties, (6) electronic‐band structure, (7) external perturbation effects on the band‐gap energy, (8) effective mass, (9) deformation potential, (10) static and high‐frequency dielectric constants, (11) magnetic susceptibility, (12) piezoelectric constant, (13) Frohlich coupling parameter, (14) electron transport properties, (15) optical properties, and (16) photoelastic properties Of particular interest is the deviation of material parameters from linearity with respect to the AlAs mole fraction x Some material parameters, such as lattice constant, crystal density, thermal expansion coefficient, dielectric constant, and elastic constant, obey Vegard’s rule well Other parameters, eg, electronic‐band energy, lattice vibration (phonon) energy, Debye temperature, and impurity ionization energy, exhibit quadratic dependence upon the AlAs mole fraction However, some kinds of the material parameters, eg, lattice thermal conductivity, exhibit very strong nonlinearity with respect to x, which arises from the effects of alloy disorder It is found that the present model provides generally acceptable parameters in good agreement with the existing experimental data A detailed discussion is also given of the acceptability of such interpolated parameters from an aspect of solid‐state physics Key properties of the material parameters for use in research work and a variety of Al x Ga1−x As/GaAs device applications are also discussed in detail

GaAs, AlAs, and AlxGa1−xAs: Material parameters for use in research and device applications

The coupled transport properties required to create an efficient thermoelectric material necessitates a thorough understanding of the relationship between the chemistry and physics in a solid. We approach thermoelectric material design using the chemical intuition provided by molecular orbital diagrams, tight binding theory, and a classic understanding of bond strength. Concepts such as electronegativity, band width, orbital overlap, bond energy, and bond length are used to explain trends in electronic properties such as the magnitude and temperature dependence of band gap, carrier effective mass, and band degeneracy and convergence. The lattice thermal conductivity is discussed in relation to the crystal structure and bond strength, with emphasis on the importance of bond length. We provide an overview of how symmetry and bonding strength affect electron and phonon transport in solids, and how altering these properties may be used in strategies to improve thermoelectric performance.

Thinking Like a Chemist: Intuition in Thermoelectric Materials.

Understanding the lattice dynamics and low thermal conductivities of IV-VI, V2-VI3 and V materials is critical to the development of better thermoelectric and phase-change materials. Here we provide a link between chemical bonding and low thermal conductivity. Our first-principles calculations reveal that long-ranged interaction along the 〈100〉 direction of the rocksalt structure exist in lead chalcogenides, SnTe, Bi2Te3, Bi and Sb due to the resonant bonding that is common to all of them. This long-ranged interaction in lead chalcogenides and SnTe cause optical phonon softening, strong anharmonic scattering and large phase space for three-phonon scattering processes, which explain why rocksalt IV-VI compounds have much lower thermal conductivities than zincblende III-V compounds. The new insights on the relationship between resonant bonding and low thermal conductivity will help in the development of better thermoelectric and phase change materials.

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Resonant bonding leads to low lattice thermal conductivity.

A treatment of the self-heating problem is presented. It is based on the laws of phenomenological irreversible thermodynamics (e.g. Onsager's relations and conservation of total energy) and is also consistent with the physical models usually considered in the isothermal drift diffusion approximation. The classical isothermal device equations are extended and completed by a generalized heat-conduction equation involving heat sources and sinks which, besides Joule and Thomson heat, reflect the energy exchanged through recombination (radiative and nonradiative) and optical generation. Thus the extended model also applies to direct semiconductors (e.g., optoelectronic devices) and accounts for effects caused by the ambient light intensity. It fully allows for low temperature since the case of incomplete ionization of donors and acceptors (impurity freeze-out) is properly incorporated in the theory. A critical comparison with previous work is made, showing that, in the steady state, some of the heuristic models of heat generation, thermal conductivity, and heat capacity could indeed approximate the correct results within an error bound of 1-10%. In the transient regime, however, none of the models used previously seems to be reliable, particularly, if short switching times ( >

Rigorous thermodynamic treatment of heat generation and conduction in semiconductor device modeling

Thermal properties of semiconductor superlattices have been investigated for the first time. The thermal properties of AlAs/GaAs superlattices were measured with the ac calorimetric method. It is found that the thermal diffusivity and thermal conductivity of the AlAs/GaAs superlattices are larger than those of the AlGaAs alloy due to the suppression of alloy scattering in the superlattice. However, the thermal diffusivity and thermal conductivity decrease with a decrease in the superlattice period and seem to approach those of the Al0.5Ga0.5As alloy in the limit of short‐period superlattices.

Thermal properties of AlAs/GaAs superlattices

The thermal conductivities as a function of temperature for silicon, germanium, gallium arsenide, indium phosphide, indium arsenide, indium antimonide, gallium phosphide, aluminum antimonide and gallium antimonide are presented. Also included are the thermal conductivities of the mixed III–V compounds: indium arsenide-phosphide, gallium-indium arsenide and gallium arsenide-phosphide. These data are derived from the publications listed in the bibliography and represent the author's selection of the “most probable” values. A brief phenomenological discussion of the mechanisms involved in thermal conduction is presented.

P.D. Maycock

Papers

Thermal conductivity of silicon, germanium, III–V compounds and III–V alloys