Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/102955
Title: Quantifying the interplay between fine structure and geometry of an individual molecule on a surface
Authors: Steinbrecher, M.
Van, Weerdenburg, W. M. J.
Walraven, E. F.
Van, Mullekom, N. P. E.
Gerritsen, J. W.
Natterer, F. D.
Badrtdinov, D. I.
Rudenko, A. N.
Mazurenko, V. V.
Katsnelson, M. I.
Van, Der, Avoird, A.
Groenenboom, G. C.
Khajetoorians, A. A.
Issue Date: 2021
Publisher: American Physical Society
Citation: Quantifying the interplay between fine structure and geometry of an individual molecule on a surface / M. Steinbrecher, W. M. J. Van Weerdenburg, E. F. Walraven, et al. — DOI 10.1103/PhysRevB.103.155405 // Physical Review B. — 2021. — Vol. 103. — Iss. 15. — 155405.
Abstract: The pathway toward the tailored synthesis of materials starts with precise characterization of the conformational properties and dynamics of individual molecules. Electron spin resonance (ESR)-based scanning tunneling microscopy can potentially address molecular structure with unprecedented resolution. Here, we determine the fine structure and geometry of an individual titanium-hydride molecule, utilizing a combination of a newly developed millikelvin ESR scanning tunneling microscope in a vector magnetic field and ab initio approaches. We demonstrate a strikingly large anisotropy of the g tensor, unusual for a spin doublet ground state, resulting from a nontrivial orbital angular momentum stemming from the molecular ground state. We quantify the relationship between the resultant fine structure, hindered rotational modes, and orbital excitations. Our model system provides avenues to determine the structure and dynamics of individual molecules. © 2021 American Physical Society.
Keywords: ATOMIC PHYSICS
ELECTRON SPIN RESONANCE SPECTROSCOPY
ELECTROSPINNING
GROUND STATE
MAGNETIC MOMENTS
MOLECULES
SCANNING TUNNELING MICROSCOPY
TITANIUM COMPOUNDS
TITANIUM METALLOGRAPHY
AB INITIO APPROACH
CONFORMATIONAL PROPERTIES
DOUBLET GROUND STATE
MOLECULAR GROUND STATE
ORBITAL ANGULAR MOMENTUM
ORBITAL EXCITATIONS
STRUCTURE AND DYNAMICS
VECTOR MAGNETIC FIELDS
SYNTHESIS (CHEMICAL)
URI: http://hdl.handle.net/10995/102955
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85104467813
PURE ID: 21870723
5a0bec6a-d5d7-4de6-a84e-15d01ee6ce24
ISSN: 24699950
DOI: 10.1103/PhysRevB.103.155405
metadata.dc.description.sponsorship: We acknowledge funding from the Dutch Research Council (NWO), and the Vidi Project “Manipulating the interplay between superconductivity and chiral magnetism at the single-atom level” with Project No. 680-47-534. This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (SPINAPSE: Grant Agreement No. 818399). F.D.N. thanks the Swiss National Science Foundation for financial support under Grant No. PP00P2_176866. The work of D.I.B., A.N.R. and V.V.M. was supported by Act 211 Government of the Russian Federation Contract No. 02.A03.21.0006.
CORDIS project card: 81839
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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