First-principles calculation of the elastic constants of AlAs
- 15 December 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 40 (17) , 11934-11936
- https://doi.org/10.1103/physrevb.40.11934
Abstract
We use an ab initio pseudopotential method within the local-density approximation to determine the full set of elastic moduli of AlAs which have not been directly established experimentally. We find =1.16, =0.55, and =0.57 Mbar, close to those known for GaAs. Since similar calculations for GaAs and other materials produce results in close agreement with experiment, we conclude that our results for AlAs are also reliable.
Keywords
This publication has 18 references indexed in Scilit:
- Piezoelectric properties of III-V semiconductors from first-principles linear-response theoryPhysical Review Letters, 1989
- Phase transitions in AlAs/GaAs superlattices under high pressurePhysical Review Letters, 1987
- Pressure dependence of GaAs/AlxGa1−xAs quantum-well bound states: The determination of valence-band offsetsJournal of Vacuum Science & Technology B, 1986
- Quantum-mechanical theory of stress and forcePhysical Review B, 1985
- Stresses in semiconductors:Ab initiocalculations on Si, Ge, and GaAsPhysical Review B, 1985
- GaAs, AlAs, and AlxGa1−xAs: Material parameters for use in research and device applicationsJournal of Applied Physics, 1985
- Calculation of Phonon Dispersion Curves for AlP, AlAs, and AlSbPhysica Status Solidi (b), 1985
- Structural properties of III-V zinc-blende semiconductors under pressurePhysical Review B, 1983
- Non-singular atomic pseudopotentials for solid state applicationsJournal of Physics C: Solid State Physics, 1980
- Elastic Properties of Diamond-Type SemiconductorsJournal of Applied Physics, 1962