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Metal-insulator transition in the In/Si(1 1 1) surface |
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| Authors: | S Riikonen A Ayuela |
| Institution: | a Departamento de Física de Materiales, Facultad de Química, Universidad del País Vasco, Apdo. 1072, 20080 Donostia-San Sebastián, Spain b Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián, Spain c Centro Mixto CSIC-UPV/EHU, “Unidad de Física de Materiales”, Apdo. 1072, 20080 Donostia-San Sebastián, Spain |
| Abstract: | The metal-insulator transition observed in the In/Si(1 1 1)-4 × 1 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 C. González, J. Ortega, F. Flores, New J. 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. |
| Keywords: | Density functional calculations Indium Silicon Phase transition |
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