Electronic states due to surface doping: Si(111)√3×√3B
- 15 January 1990
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 41 (2), 1262-1265
- https://doi.org/10.1103/physrevb.41.1262
Abstract
A √3 × √3 surface reconstruction is obtained on Si(111) when B diffuses from the bulk to the surface in heavily doped Si samples. First-principles total-energy calculations show that the lowest-energy atomic configuration for this reconstruction consists of a B atom at a subsurface substitutional site, directly underneath a Si adatom. Surface electronic states observed by photoemission and inverse photoemission experiments are analyzed through electronic structure calculations and shown to be related to the back-bond and the dangling-bond states of the Si adatom.Keywords
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