Towards a Complete Many-Body Description: Optical Response of Real Surfaces
F. Bechstedt
Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität, Max-Wien-Platz 1, D-07743 Jena, Germany
Search for more papers by this authorW.G. Schmidt
Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität, Max-Wien-Platz 1, D-07743 Jena, Germany
Search for more papers by this authorP.H. Hahn
Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität, Max-Wien-Platz 1, D-07743 Jena, Germany
Search for more papers by this authorF. Bechstedt
Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität, Max-Wien-Platz 1, D-07743 Jena, Germany
Search for more papers by this authorW.G. Schmidt
Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität, Max-Wien-Platz 1, D-07743 Jena, Germany
Search for more papers by this authorP.H. Hahn
Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität, Max-Wien-Platz 1, D-07743 Jena, Germany
Search for more papers by this authorAbstract
We demonstrate the potential of recently developed total-energy and electronic-structure methods for the calculation of optical properties of real surfaces. We show that many-body effects such as quasiparticle shifts and electron–hole interaction can now fully be taken into account. As a prototypical property the optical reflectance anisotropy is discussed. Surface examples are large stoichiometry-dependent reconstructions of InP(001) and the hydrogen-passivated Si(110) face.
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