Dresden 2026 – scientific programme

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O: Fachverband Oberflächenphysik

O 83: Organic molecules on inorganic substrates: electronic, optical and other properties III

O 83.6: Talk

Thursday, March 12, 2026, 16:15–16:30, HSZ/0201

Correlation-driven d-band modifications promote chemical bonding at 3d-ferromagnetic surfaces — •David Janas¹, Andreas Windischbacher², Alessandro Sala³, Manuel Gruber⁴, Mehdi Bouatou⁴, Vitaliy Feyer⁵, Iulia Cojocariu⁵, Andrea Droghetti⁶, Peter Puschnig^1,2, Giovanni Zamborlini¹, and Mirko Cinchetti¹ — ¹TU Dortmund University — ²Karl-Franzens-University Graz — ³CNR-Istituto Officina dei Materiali (IOM), Trieste — ⁴University of Duisburg-Essen — ⁵Elettra Sincrotrone Trieste — ⁶Ca' Foscari University of Venice

Many-body effects at adsorbate-metal interfaces play a crucial but often overlooked role in designing spintronic and electrocatalytic materials. We recently showed that a chemisorbed oxygen layer on ferromagnetic (FM) Fe enhances electron correlation, causing narrowing of the Fe d-bands near the Fermi level, and a reduced exchange splitting, with direct implications for surface reactivity [1]. Here, we study a pentacene monolayer on oxygen-passivated Fe using momentum-resolved photoemission, scanning tunneling microscopy/spectroscopy, and Hubbard-corrected density functional theory (DFT+U) guided by dynamical mean-field theory (DMFT). Non-standard U values reproduce unexpectedly strong molecule-substrate interactions on a nominally passivated surface, highlighting the decisive role of electron correlation at organic/FM interfaces [2].

[1] Janas, D.M., et al. Adv. Mater., 35, 2205698 (2023).

[2] Janas, D.M., et al. accepted in Small.

Keywords: electron correlation; ferromagnetic surface; interface physics; chemical bonding; hybridization