Dresden 2006 – scientific programme

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O: Oberflächenphysik

O 10: Semiconductor surfaces and interfaces

O 10.4: Talk

Monday, March 27, 2006, 15:45–16:00, PHY C213

Optical properties of the Si(113) 3×2 ADI surface — •Katalin Gaal-Nagy — Dipartimento di Fisica, Universita degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy)

We have investigated the optical properties of the 3×2 ADI reconstruction which is the most stable structure of the (113) surface of silicon. The calculations have been done within the plane-wave pseudopotential approach to the density-functional theory as implemented in ABINIT [1] and TOSCA [2]. Besides, also a semi-empirical tight-binding approach has been used. In a first step, tests on the atomic geometry, the slab thickness, and the electronic structure have been performed. The optical properties have been derived using the matrix elements of the momentum operator through the calculation of the x and y contribution to the imaginary part of the polarizability, from which the RAS (reflectance anisitropy spectra) can be obtained. With a layer-by-layer analysis the surface contributions have been disentangled from the ones of the bulk-part of the slab. Finally, we compare our results with available theoretical and experimental data.

[1] http://www.abinit.org

[2] http://users.unimi.it/etsf/tosca.html