We describe a recently discovered stable planar surface of silicon, Si(114). This high-index surface, oriented 19.5 degrees away from (001) toward (111), undergoes a 2x1 reconstruction. We propose a complete model for the reconstructed surface based on scanning tunneling microscopy images and first-principles total-energy calculations. The structure and stability of Si(114)-(2x1) arises from a balance between surface dangling bond reduction and surface stress relief, and provides a key to understanding the morphology of a family of surfaces oriented between (001) and (114).
@article{arxiv.mtrl-th/9606005,
title = {Structure and Stability of Si(114)-(2x1)},
author = {Steven C. Erwin and Alison A. Baski and Lloyd J. Whitman},
journal= {arXiv preprint arXiv:mtrl-th/9606005},
year = {2009}
}
Comments
REVTeX, 4 pages + 3 figures. A preprint with high-resolution figures is available at http://cst-www.nrl.navy.mil/papers/si114.ps . To be published in Phys. Rev. Lett