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HL: Fachverband Halbleiterphysik
HL 44: Poster Session I
HL 44.75: Poster
Dienstag, 15. März 2011, 18:00–21:00, P3
Density-Functional Investigation of Gallium Phosphide- Silicon Interface — •Gabi Steinbach1, Michael Schreiber1, Sibylle Gemming1,2, Henning Döscher3, and Thomas Hannappel3 — 1Institut für Physik, Technische Universität Chemnitz, D-09107 Chemnitz, Germany — 2Institute of Ion Beam Physics and Materials Research, HZ Dresden-Rossendorf, Postfach 51 01 19, D-01314 Dresden, Germany — 3Helmholtz Center Berlin for Materials and Energy, Hahn-Meitner-Platz 1, D-14109 Berlin, Germany
Gallium phosphide is an established compound semiconductor in the optoelectronic industry with an indirect band gap of 2.26 eV. Used as substrate for GaAsP LEDs or active LED material itself, GaP thin films on cheaper silicon substrates promise a high application potential for LED engineering. The present study addresses the material discontinuities occuring at the boundaries of a GaP thin functional layer on a silicon substrate. Density-functional calculations have been performed with the pseudopotential plane-wave code ABINIT [1]. At the ideally flat GaP(001)|Si(001) interface both the Ga-rich and the P-rich terminations of the GaP layer are studied along with partially Si-occupied boundary layers. Substantially negative values of the work of separation for all investigated interfaces indicate the high stability and the low remanent stresses at the GaP-Si interface. Extended studies contain steps along the <110> direction with the aim to distinguish point-defects and line-defects as origin of the experimentally observed anti-phase boundaries. [1] www.abinit.org.