Physics – Condensed Matter – Materials Science
Scientific paper
2005-12-23
Physics
Condensed Matter
Materials Science
Presented in the 23 European Conference in Surface Science, Berlin, September 2005. Submitted to Surface Science (proceedings
Scientific paper
10.1016/j.susc.2006.01.092
The metal-insulator transition observed in the In/Si(111)-4x1 reconstruction is studied by means of ab initio calculations of a simplified model of the surface. Different surface bands are identified and classified according to their origin and their response to several structural distortions. We support the, recently proposed [New J. of Phys. 7 (2005) 100], combination of a shear and a Peierls distortions as the origin of the metal-insulator transition. Our results also seem to favor an electronic driving force for the transition.
Ayuela Andres
Riikonen Sampsa
Sanchez-Portal Daniel
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