Regensburg 2019 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 65: Poster Wednesday: Surface Structure, Epitaxy and Growth
O 65.1: Poster
Mittwoch, 3. April 2019, 17:45–20:00, Poster B1
Polymorphic expressions of ultrathin oxidic layers of Mo on Au(111) — Taehun Lee1, Yun-Jae Lee1, Krisztián Palotás2, Giyeok Lee1, Catherine Stampfl3, and •Aloysius Soon1 — 1Department of Materials Science & Engineering, Yonsei University, Seoul 03722, Korea — 2Wigner Research Center for Physics, Hungarian Academy of Sciences, Budapest, Hungary — 3School of Physics, The University of Sydney, NSW, 2006, Australia
Ultrathin oxidic layers of Mo (O/Mo) on the Au(111) support have been investigated using first-principles density-functional theory calculations. Various polymorphic structural models of these O/Mo layers are proposed and compared with previous experimental results – covering both spectroscopic and microscopic approaches of characterization. We find that, through the control of metal-oxygen coordination in these ultrathin oxidic O/Mo films on Au(111), the oxidation state of Mo atoms in the O/Mo layers can be modulated and reduced without intentional creation of oxygen vacancies. This is also assisted by a charge transfer mechanism from the Au substrate to these oxidic films, providing a direct means to tune the surface electronic properties of ultrathin oxide films on metal substrates.