Composition dependence of Si and Ge diffusion in relaxed Si1−xGex alloys

Abstract

Diffusion of silicon (Si) and germanium (Ge) in silicon-germanium Si1−xGex-isotope heterostructures with Ge contents x=0, 0.05, 0.25, 0.45, and 0.70 was investigated in a temperature range between 690 and 1270 °C. The concentration profiles of the stable Si-isotopes and Ge-isotopes were recorded by means of time-of-flight secondary ion mass spectrometry. Analysis of the experimental profiles shows that the Si and Ge diffusion coefficients in elemental Si agree within experimental accuracy. However with increasing Ge content the diffusion of Ge gets increasingly faster compared to that of Si. An Arrhenius type temperature dependence of diffusion is observed for all compositions with slightly lower values for the activation enthalpy of Ge compared to Si. The more pronounced Ge diffusion indicates that with increasing Ge concentration the diffusional jumps of Ge atoms become more successful compared to those of Si. This trend is explained with an increasing contribution of vacancies to self-diffusion in Si1−xGex with x. In contrast to earlier results the composition dependence of the activation enthalpy of self-diffusion reveals an upward bowing. A similar composition dependence is reported for the arsenic (As) and antimony (Sb) diffusion in SiGe and is predicted theoretically for the stability of phosphorus-vacancy and arsenic-vacancy pairs in SiGe. The nonlinear behavior seems to be a general trend and accordingly mainly a consequence of the SiGe alloy system.