Calculation of dopant segregation ratios at semiconductor interfaces

We analyzed dopant segregation at semiconductor interfaces by equilibrating chemical potentials of dopants and electrons on each side of the interface. We apply the theory to Si/strained-SiGe interfaces and compare the predictions with existing experimental data. The calculations include changes in effective density of states (with particular attention to high-temperature hole effective mass), band-gap narrowing due to composition and temperature, and lattice parameter changes. We find that strong B segregation is dominated by stress effects, while moderate P or As segregation is dominated by changes in electronic band structure. We also observe that calculated stress energy is nearly temperature independent.