What is it about?
The question was if one could find a parameterization of empirical potentials for semiconductors to correctly predict both elastic constants and phonons. There was a theory at the time that the parameterization existed but none had find it because the parameter space was too large.
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Why is it important?
The research question was answered. it is not possible. The limitations of the Tersoff potential is in its functional form, not in the parameters set.
Perspectives
Eventually this lead to generating new potentials, including our recent MMP (“Elastic and Vibrational Properties of Group IV Semiconductors in Empirical Potential Modelling” U Monteverde, M A Migliorato, J Pal and DJ Powell, J. Phys: Cond. Mat. 25 (42), 425801 (2013) doi:10.1088/0953-8984/25/42/425801)
Dr Max A Migliorato
University of Manchester
Read the Original
This page is a summary of: The Tersoff potential for phonons in GaAs, Physica E Low-dimensional Systems and Nanostructures, May 2006, Elsevier,
DOI: 10.1016/j.physe.2005.12.051.
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