Structure and Stability of Si(114)-(2x1)

Details Structure and Stability of Si(114)-(2x1) Structure and Stability of Si(114)-(2x1)

1996-06-28

arxiv.org/abs/mtrl-th/9606005v1

Phys. Rev. Lett. 77, 687 (1996)

Physics

Condensed Matter

Materials Science

REVTeX, 4 pages + 3 figures. A preprint with high-resolution figures is available at http://cst-www.nrl.navy.mil/papers/si114.

Scientific paper

10.1103/PhysRevLett.77.687

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).

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