Journal of Crystal Growth, Vol.231, No.1-2, 148-170, 2001
Simulation of radial dopant segregation in vertical Bridgman growth of GaSe, a semiconductor with anisotropic solid-phase thermal conductivity
For a range of growth conditions of practical interest, we simulate liquid- and solid-phase dopant distributions and radial segregation for several dopants (In, Sn, Cu, Se, Zn. and Cd) in vertical Bridgman growth of the nonlinear optical material gallium monoselenide. Besides these dopants, which have been used to modify the properties of Bridgman-grown GaSe and have segregation coefficients in the range 0.01 less than or equal to k less than or equal to 0.3, we also consider a hypothetical dopant with k = 0.8. The computational model accounts for the anisotropic solid-phase thermal conductivity characteristic of nonlinear optical materials, interface deformation. convection in the melt., and conduction in the ampoule wall. The results show a strong dependence of radial segregation on growth rate over the range 0.25 mum s(-1) less than or equal to U less than or equal to 3 mum s(-1), and a much weaker dependence on the maximum ampoule-wall temperature gradient over the range 15 degreesC cm(-1) less than or equal to dT(b)(0)/dz less than or equal to 60 degreesC cm(-1). Overall radial segregation depends weakly on whether the melting temperature is "centered" between the high and low temperatures, and is insensitive to both the 23 degreesC difference in the measured values of the melting temperature. and the large difference between the two measurements of the enthalpy of fusion. The overall radial segregation depends approximately linearly on the product of 1 - (k) over tilde and the growth rate U over the entire range of segregation coefficients and growth rates considered. Radial segregation computed using an isotropic conductivity (one-third the trace of the conductivity tensor) gives results qualitatively different than predictions using the anisotropic conductivity. We also show how localized ampoule-wall heating in the "adiabatic" zone of a three-zone Bridgman furnace can dramatically alter radial segregation by creating one or more additional, weak, toroidal vortices just above the interface.
Keywords:computer simulation;convection;doping;segregation;Bridgman technique;nonlinear optical materials