Dresden 2014 – wissenschaftliches Programm

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HL: Fachverband Halbleiterphysik

HL 77: Frontiers of electronic structure theory - Non-equilibrium phenomena at the nano-scale V (organized by O)

HL 77.5: Vortrag

Mittwoch, 2. April 2014, 17:30–17:45, TRE Ma

Probing d-band Quantum Well States in Palladium Nanofilms — •Srijan Kumar Saha1, Sujit Manna1, Marek Przybylski1,2, Valeri Stepanyuk1, and Jurgen Kirschener1,31Max-Planck-Institut für Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany — 2Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, 30-059 Kraków, Poland — 3Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, D-06099 Halle, Germany

We present the results of our new study which probes the d-bands quantum well (QW) states in Pd nanofilms grown on Cu(001) using first-principles density functional theory (DFT) calculations combined with scanning tunneling spectroscopy (STS) experiments. This study reveals that QW states occur in the overlayer films of Pd over a strikingly large film thickness (up to 17 monolayers) and in a large binding energy range (from 0.1 to 3.0 eV below Fermi level), thanks to its distinct and broad 4d-bands. The orbital characters of these states are unambiguously identified by our DFT calculations. Calculations also demonstrate oscillatory multilayer relaxations and d-derived quantum size oscillations in Pd films. The pseudomorphic growth, well-defined interface, and spatially resolved STS allows us to probe individual occupied QW states and extract the accurate dispersion of the (Δ5-like) d electronic band, as these states are laterally highly localized and give rise to distinct and sharp feature in the tunneling spectra.

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