Theory of epitaxy at finite temperatures: An application to orientational phase transformations on reconstructed surfaces

초록

A new finite temperature epitaxy theory has been introduced which allows us to study epitaxy in systems with nonadditive many-body potentials in finite temperatures. This method is applied to hexagonally reconstructed (Formula presented) surfaces. We find rotated domains on the surfaces with rotation angles θ≈0.72°, 0.86°, and 1.14°, depending on cluster size and shape. These rotated domains undergo orientational phase transformations at temperatures below the melting temperature. We predict that the orientational phase transformations may be accompanied by a reconstruction pattern transformation. © 1998 The American Physical Society.