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Materials 2017, 10(12), 1409;

Formation of Surface and Quantum-Well States in Ultra Thin Pt Films on the Au(111) Surface

Department of Physics, Tomsk State University, 634050 Tomsk, Russia
Institute of Strength Physics and Materials Science, Siberian Branch, Russian Academy of Sciences, 634050 Tomsk, Russia
Department of Physics, Saint Petersburg State University, 198504 Saint Petersburg, Russia
Donostia International Physics Center (DIPC), 20018 San Sebastian/Donostia, Basque Country, Spain
Department of Materials Physics, Materials Physics Center CFM-MPC and Mixed Center CSIC-UPV, 20080 San Sebastian/Donostia, Basque Country, Spain
Author to whom correspondence should be addressed.
Received: 21 November 2017 / Revised: 5 December 2017 / Accepted: 7 December 2017 / Published: 9 December 2017
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The electronic structure of the Pt/Au(111) heterostructures with a number of Pt monolayers n ranging from one to three is studied in the density-functional-theory framework. The calculations demonstrate that the deposition of the Pt atomic thin films on gold substrate results in strong modifications of the electronic structure at the surface. In particular, the Au(111) s-p-type Shockley surface state becomes completely unoccupied at deposition of any number of Pt monolayers. The Pt adlayer generates numerous quantum-well states in various energy gaps of Au(111) with strong spatial confinement at the surface. As a result, strong enhancement in the local density of state at the surface Pt atomic layer in comparison with clean Pt surface is obtained. The excess in the density of states has maximal magnitude in the case of one monolayer Pt adlayer and gradually reduces with increasing number of Pt atomic layers. The spin–orbit coupling produces strong modification of the energy dispersion of the electronic states generated by the Pt adlayer and gives rise to certain quantum states with a characteristic Dirac-cone shape. View Full-Text
Keywords: gold; platinum; surface states; quantum-well states; spin splitting; heterostructure gold; platinum; surface states; quantum-well states; spin splitting; heterostructure

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Silkin, I.V.; Koroteev, Y.M.; Echenique, P.M.; Chulkov, E.V. Formation of Surface and Quantum-Well States in Ultra Thin Pt Films on the Au(111) Surface. Materials 2017, 10, 1409.

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