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Thermodynamics of diffusion under pressure and stress: Relation to point defect mechanisms

Summary: Thermodynamics of diffusion under pressure and stress: Relation
to point defect mechanisms
Michael J. Aziza)
Division of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138
Received 13 November 1996; accepted for publication 27 March 1997
A thermodynamic formalism is developed for illuminating the predominant point defect mechanism
of self- and impurity diffusion in silicon and is used to provide a rigorous basis for point
defect-based interpretation of diffusion experiments in biaxially strained epitaxial layers in the
Si­Ge system. A specific combination of the hydrostatic and biaxial stress dependences of the
diffusivity is 1 times the atomic volume, depending upon whether the predominant mechanism
involves vacancies or interstitials. Experimental results for Sb diffusion in biaxially strained Si­Ge
films and ab initio calculations of the activation volume for Sb diffusion by a vacancy mechanism
are in quantitative agreement with no free parameters. Key parameters are identified that must be
measured or calculated for a quantitative test of interstitial-based mechanisms. © 1997 American
Institute of Physics. S0003-6951 97 01221-7
Because understanding and controlling diffusion related
phenomena become increasingly important as semiconductor
device dimensions decrease, diffusion in semiconductors has
been heavily studied. Despite this emphasis, there remains
no consensus about the relative concentrations and mobilities


Source: Aziz, Michael J.- School of Engineering and Applied Sciences, Harvard University


Collections: Physics; Materials Science