Analytic Formulas for the Orientation Dependence of Step Stiffness and Line Tension: Key Ingredients for Numerical Modeling
arXiv:cond-mat/0609237 · doi:10.1137/060662861
Abstract
We present explicit analytic, twice-differentiable expressions for the temperature-dependent anisotropic step line tension and step stiffness for the two principal surfaces of face-centered-cubic crystals, the square {001} and the hexagonal {111}. These expressions improve on simple expressions that are valid only for low temperatures and away from singular orientations. They are well suited for implementation into numerical methods such as finite-element simulation of step evolution.
10 pages; reformatted with revtex (with typos corrected) from version accepted by SIAM--Multiscale Modeling and Simulation on Nov. 21, 2006; greatly expanded introduction, several minor fixes (mostly stylistic)