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We study the modification of the magnetocrystalline anisotropy (MCA) of Co slabs induced by several different conjugated molecular overlayers, i.e., benzene, cyclooctatetraene, naphthalene, pyrene and coronene. We perform first-principles…

Materials Science · Physics 2024-01-31 Anita Halder , Sumanta Bhandary , David D. O'Regan , Stefano Sanvito , Andrea Droghetti

Metal-organic interfaces determine critical processes in organic electronic devices. The frontier molecular orbitals (highest occupied and lowest unoccupied molecular orbital, HOMO and LUMO) are crucial in determining charge-injection and…

Materials Science · Physics 2025-04-09 Anubhab Chakraborty , Oliver L. A. Monti

We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical conditions. Stage one uses ab initio simulations to provide…

Computational Physics · Physics 2020-07-15 Benedikt Hartl , Shubham Sharma , Oliver Brügner , Stijn F. L. Mertens , Michael Walter , Gerhard Kahl

We show that skyrmions on the surface of a magnetic topological insulator may experience an attractive interaction that leads to the formation of a skyrmion-skyrmion bound state. This is in contrast to the case of skyrmions in a…

Mesoscale and Nanoscale Physics · Physics 2019-09-13 Kunal L. Tiwari , J. Lavoie , T. Pereg-Barnea , W. A. Coish

X-ray photoemission and x-ray absorption spectroscopy are important techniques to characterize chemical bonding at surfaces and are often used to identify the strength and nature of adsorbate-substrate interactions. In this study, we judge…

Materials Science · Physics 2023-02-09 Samuel J. Hall , Benedikt P. Klein , Reinhard J. Maurer

Using angle-resolved photoemission spectroscopy, we show the direct evidence of charge transfer between adsorbed molecules and metal substrate, i.e. chemisorption of CO on Pt(111) and Pt-Sn/Pt(111) 2x2 surfaces. The observed band structure…

Inspired by cotunneling spectroscopy of spin-states in a single OPE5-based molecule, we investigate the prospects for electric control of magnetism in purely organic molecules contacted in a three-terminal geometry. Using the gate…

Mesoscale and Nanoscale Physics · Physics 2012-12-21 J. Fock , M. Leijnse , K. Jennum , A. S. Zyazin , J. Paaske , P. Hedegård , M. Brøndsted Nielsen , H. S. J. van der Zant

The design of low-dimensional organic-inorganic interfaces for the next generation of opto-electronic applications requires an in-depth understanding of the microscopic mechanisms ruling electronic interactions in these systems. In this…

The interfacial band structures of multilayer systems play a crucial role for the ultrafast charge and spin carrier dynamics at interfaces. Here, we study the energy- and momentum-dependent quasiparticle lifetimes of excited states of a…

Mesoscale and Nanoscale Physics · Physics 2021-09-22 Florian Haag , Tobias Eul , Lisa Grad , Norman Haag , Johannes Knippertz , Mirko Cinchetti , Martin Aeschlimann , Benjamin Stadtmüller

In orthorhombic perovskite oxides (RMO$_3$), substituting R$^{3+}$ rare-earth cations tailors the spin, orbital, and charge degrees of freedom of the central M$^{3+}$ transition metal cations through lattice distortions. In turn, these…

The system of an iron phthalocyanine molecule on the Au(111) surface, has been studied recently due to its peculiar properties. In particular, several surprising results of scanning tunneling spectroscopy changing the position of the…

Strongly Correlated Electrons · Physics 2022-05-19 A. A. Aligia

Organic semiconductors find increasing importance in spin transport devices due to the modulation and control of their properties through chemical synthetic versatility. The organic materials are used as interlayers between two ferromagnet…

The confluence between high-energy physics and condensed matter has produced groundbreaking results via unexpected connections between the two traditionally disparate areas. In this work, we elucidate additional connectivity between…

Mesoscale and Nanoscale Physics · Physics 2023-08-02 Joseph Sklenar , Soho Shim , Hilal Saglam , Junseok Oh , M. G. Vergniory , Axel Hoffmann , Barry Bradlyn , Nadya Mason , Matthew J. Gilbert

Resonant x-ray scattering at the Dy $M_5$ and Ni $L_3$ absorption edges was used to probe the temperature and magnetic field dependence of magnetic order in epitaxial LaNiO$_3$-DyScO$_3$ superlattices. For superlattices with 2 unit cell…

Strongly Correlated Electrons · Physics 2017-06-07 M. Bluschke , A. Frano , E. Schierle , M. Minola , M. Hepting , G. Christiani , G. Logvenov , E. Weschke , E. Benckiser , B. Keimer

Kondo resonances in molecular adsorbates are an important building block for applications in the field of molecular spintronics. Here, we introduce the novel concept of using frontier orbital degeneracy for tailoring the magnetic state,…

Self-assembled monolayers of 1,3,5-tris(4'-biphenyl-4"-carbonitrile)benzene, a large functional trinitrile molecule, on the (111) surfaces of copper and silver under ultrahigh vacuum conditions were studied by scanning tunneling microscopy…

Spin-momentum locking plays a fundamental role in spintronics and, more broadly, is an important concept in condensed matter physics. In 2D and 3D, spin-momentum locking typically does not allow spin-conservation because the spin-1/2…

Mesoscale and Nanoscale Physics · Physics 2026-02-05 Yoonseok Hwang , Penghao Zhu , Taylor L. Hughes

Controlling the self-assembly of surface-adsorbed molecules into nanostructures requires understanding physical mechanisms that act across multiple length and time scales. By combining scanning tunneling microscopy with hierarchical ab…

Mesoscale and Nanoscale Physics · Physics 2014-04-04 Thomas K. Haxton , Hui Zhou , Isaac Tamblyn , Daejin Eom , Zonghai Hu , Jeffrey B. Neaton , Tony F. Heinz , Stephen Whitelam

The magnetic coupling between single Co atoms adsorbed on a copper surface is determined by probing the Kondo resonance using low-temperature scanning tunneling spectroscopy. The Kondo resonance, which is due to magnetic correlation effects…

Strongly Correlated Electrons · Physics 2007-05-23 P. Wahl , P. Simon , L. Diekhoener , V. S. Stepanyuk , P. Bruno , M. A. Schneider , K. Kern

We performed SQUID and FMR magnetometry experiments to clarify the relationship between two reported magnetic exchange effects arising from interfacial spin-polarized charge transfer within ferromagnetic metal (FM)/molecule bilayers: the…