Anharmonic Keating model for group-IV semiconductors with application to the lattice dynamics in alloys of Si, Ge, and C
- 15 October 1995
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 52 (15) , 11059-11072
- https://doi.org/10.1103/physrevb.52.11059
Abstract
A generalization of the Keating model is given which treats anharmonic effects in a much improved manner. The dependence of the bond-stretching and bond-bending force constants on the crystal volume was determined by means of ab initio density-functional calculations, revealing simple universal scaling laws. The resulting anharmonic model was used to investigate optical phonons in disordered alloys of Si, Ge, and C. The calculated Raman spectra agree well with experimental results and are analyzed in terms of microscopic and macroscopic strain as well as confinement effects due to mass disorder.Keywords
This publication has 34 references indexed in Scilit:
- Lattice distortion in a strain-compensated layer on siliconPhysical Review B, 1994
- Effect of strain on phonons in Si, Ge, and Si/Ge heterostructuresPhysical Review B, 1993
- Fabrication and properties of epitaxially stabilized Ge / α-Sn heterostructures on Ge(001)Journal of Crystal Growth, 1992
- Synthesis of Si1−yCy alloys by molecular beam epitaxyApplied Physics Letters, 1992
- Structure and thermodynamics of alloys from ab initio Monte Carlo simulationsPhysical Review Letters, 1991
- Stability of Ordered Bulk and Epitaxial Semiconductor AlloysPhysical Review Letters, 1986
- Adiabatic bond charge model for the phonons in diamond, Si, Ge, andPhysical Review B, 1977
- Lattice Dynamics and Spectroscopic Properties by a Valence Force Potential of Diamondlike Crystals: C, Si, Ge, and SnThe Journal of Chemical Physics, 1972
- Effect of Invariance Requirements on the Elastic Strain Energy of Crystals with Application to the Diamond StructurePhysical Review B, 1966
- The Skeletal Modes of Vibration of Long Chain MoleculesThe Journal of Chemical Physics, 1939