Scaling of the Hamiltonian and momentum in semiconductors
- 15 June 1984
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 29 (12) , 6840-6845
- https://doi.org/10.1103/physrevb.29.6840
Abstract
We compute self-consistently the matrix elements of the Hamiltonian and the momentum in a localized basis for covalent semiconductors. This basis is connected with the Wannier functions of the system obtained by means of a variational method. The calculation has been performed for different lattice constants in order to look for a dependence law for and . The results are more satisfactory in Si, where roughly scales as . The scaling of the Cartesian components of is rather more complicated, but a simple behavior is obtained for the modulus .
Keywords
This publication has 16 references indexed in Scilit:
- Temperature effects on the highly correlated electron gas of a Si-111(1 × 1) surfaceSolid State Communications, 1983
- Self-consistent calculation of the internal strain parameter of siliconPhysical Review B, 1982
- Electron-phonon interaction in tetrahedrally bonded solidsJournal of Physics C: Solid State Physics, 1981
- Theory of optical-phonon deformation potentials in tetrahedral semiconductorsPhysical Review B, 1981
- Generalized Wannier functions at interfaces: Stacking faults in siliconPhysical Review B, 1981
- Semiconductor properties based upon universal tight-binding parametersPhysical Review B, 1981
- Self-consistent calculation of the structural properties of siliconPhysical Review B, 1979
- Ab initioself-consistent calculation of silicon electronic structure by means of Wannier functionsPhysical Review B, 1979
- Self-consistent localised description of the electronic structure of semiconductorsJournal of Physics C: Solid State Physics, 1979
- Atomic densities of states near Si (111) surfacesPhysical Review B, 1976