Dresden 2026 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 15: Spins on surfaces at the atomic scale I
O 15.2: Vortrag
Montag, 9. März 2026, 15:30–15:45, WILL/A317
versatile building blocks for molecular qubits on surfaces — •Saba Taherpour1,2, Corina Urdaniz1,3, Jisoo Yu1,3, Jose Reina-Galvez1,3,4, Kevin Lizárraga1,3, and Christoph Wolf1,3 — 1Center for Quantum Nanoscience, Institute for Basic Science (IBS), Seoul 03760, Korea — 2Department of Physics, Ewha Womans University, Seoul 03760, Korea — 3Ewha Womans University, Seoul 03760, Korea — 4University of Konstanz, 78457 Konstanz, Germany
Electron spins are natural quantum objects. Molecules that host an electron spin S=1/2 can therefore be considered qubit candidates provided they have reasonable coherence times. In this work, I will show based on first-principles calculations how the charge transfer across an Ag/MgO interface can be utilized to change the charge and spin state of 3d transition-metal phthalocyanine molecules. Iron(II) phthalocyanine (FePc) emerges as a promising qubit candidate. We present density functional theory calculations and nonequilibrium quantum transport simulations based on recent developments of all electrical electron spin resonance in atomic scale magnetic transport junctions. Our results indicate that FePc on the Ag/MgO substrate can be used as molecular building block of on-surface qubit architectures.
Keywords: Molecular spin; On-surface qubits; Density Functional Theory