SurfaceScience21 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 81: Poster Session VI: Poster to Mini-Symposium: Manipulation and control of spins on functional surfaces II
O 81.6: Poster
Mittwoch, 3. März 2021, 13:30–15:30, P
Quantifying the interplay between fine structure and geometry of an individual molecule on a surface — •Manuel Steinbrecher1, Werner M.J. v. Weerdenburg1, Etienne F. Walraven1, Niels P.E. v. Mullekom1, Jan W. Gerritsen1, Fabian D. Natterer2, Danis I. Badrtdinov3,1, Alexander N. Rudenko4,3,1, Vladimir V. Mazurenko3, Mikhail I. Katsnelson1,3, Ad v.d. Avoird1, Gerrit C. Groenenboom1, and Alexander A. Khajetoorians1 — 1Institute for Molecules and Materials, Radboud University, Nijmegen, The Netherlands — 2Department of Physics, University of Zurich, Zurich, Switzerland — 3Theoretical Physics and Applied Mathematics Department, Ural Federal University, Ekaterinburg, Russia — 4School of Physics and Technology, Wuhan University, Wuhan, China
With spin-resolved scanning tunneling microscopy (SP-STM) and electron spin resonance (ESR) we have probed single TiH molecules deposited on a thin insulating MgO layer in a vector magnetic field at mK temperatures down to MHz frequencies. We find that the molecule retains a non-trivial orbital angular momentum. This results in a strongly renormalized and anisotropic g-tensor. As we prove, the latter does not stem from Kondo or Jahn-Teller effects. From quantum chemistry embedded cluster calculations we find an analytical expression for the g-tensor, which solely depends on the splitting of the ground states and the spin-orbit coupling. In a dynamic expansion of the model, the position of the H atom and rotational dynamics of the molecule were investigated. [1] Steinbrecher et al., arXiv 2007.01928 (2020)