Valence-band offsets and formation enthalpy of reconstructed GaAs/Ge(001) interfaces
- 15 May 1990
- journal article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 41 (14) , 10264-10267
- https://doi.org/10.1103/physrevb.41.10264
Abstract
The GaAs/Ge(001) superlattice interfaces are believed to reconstruct in order to eliminate long-range electric fields. In the simplest reconstruction both the interfacial planes are GaGe or both are AsGe. We calculate valence-band offsets of 737 and 263 meV and formation enthalpies of 352 and 357 meV per pair of interfacial atoms, respectively, for the two cases. The enthalpy of these interfaces is shown to be nearly identical to that of the nonpolar (110) interface and much larger than that of the polar (111) interface which is shown to be stable against reconstruction.Keywords
This publication has 11 references indexed in Scilit:
- Huge electric fields in Ge/GaAs (001) and (111) superlattices and their effect on interfacial stabilityPhysical Review B, 1990
- Solution of Schrödinger’s equation for large systemsPhysical Review B, 1989
- Mixing enthalpy of the GaAs-AlAs random alloy: 64-atom supercell calculationsPhysical Review B, 1989
- Conjugate gradient minimization of the energy functional: A new method for electronic structure calculationPhysical Review B, 1989
- Failure of the transitivity rule for (GaAs)3/(Ge)6(110) and (AlAs)3/(Ge)6(110) superlattice valence-band offsetsPhysical Review B, 1989
- Optical absorption from polarons in a diatomic polymerPhysical Review B, 1987
- Acoustic deformation potentials and heterostructure band offsets in semiconductorsPhysical Review B, 1987
- Theory of semiconductor heterojunctions: The role of quantum dipolesPhysical Review B, 1984
- Atomic reconstruction at polar interfaces of semiconductorsJournal of Vacuum Science and Technology, 1980
- Polar heterojunction interfacesPhysical Review B, 1978