Dresden 2014 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 37: Posters: Plasmonics, Electronic Structure and Spin-Orbit Interaction, Semiconductor and Insulator Surfaces, Nanostructures
O 37.81: Poster
Dienstag, 1. April 2014, 18:30–22:00, P2
Structure determination of CdO(100): A combined quantitative LEED and DFT study — •James Mudd1, Katarzyna Krupski1, Jacopo Ardini2, Georg Held2, Aleksander Krupski1, and Chris McConville1 — 1Department of Physics, University of Warwick, Coventry CV4 7AL, United Kingdom. — 2Department of Chemistry, University of Reading, Reading, RG6 6AD, United Kingdom
Cadmium oxide (CdO) is a transparent conducting oxide, with potential applications in solar cells and gas sensing. In addition it exhibits interesting surface electronic properties including electron accumulation resulting in a quantized 2D electron gas (Q2DEG), despite this there have so far been no studies of the surface structure of CdO. The surface structure of CdO(100) has been determined by quantitative low-energy electron diffraction LEED I(V) analysis and density functional theory (DFT) calculations. An analysis of LEED I(V) spectra from the CdO(100) surface has been performed by comparing measured intensities with data calculated using an automated CLEED program package. All DFT calculations have been performed with the CASTEP code (Cambridge Sequential Total Energy Package) using a plane-wave pseudopotential formalism.