A bond orbital model investigation of the surface electronic energy structure of Si(111) |
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| Authors: | S Ciraci IP Batra |
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| Institution: | Department of Materials Science and Engineering, Stanford University, Stanford, California 94305, U.S.A.;IBM Research Laboratory, San Jose, California 95193, U.S.A. |
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| Abstract: | Intrinsic surface states for the Si(111) surface are investigated using the Bond Orbital Model. The semi-infinite crystal is simulated by gradually increasing the number of layers until the convergence is achieved. Total density of states are presented for unrelaxed, relaxed and the hydrogen chemisorbed Si(111) surfaces. The effect of the (2 × 1) reconstruction on the dangling bond surface state is also investigated. The results are in excellent agreement with photoemission experiments. |
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