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Concepts and tools in molecular spintronics

Deliverables

JMC colloquium

A molecular spintronics colloquium will be proposed at the French “Journées de la Matière Condensée” held in Grenoble in August 2018. [M10]

Website

Website and logo of the project: development of public/private website & logo that will be updated continuously. [M2]

SCO compound

This deliverable consists in the synthesis and the magneto-structural characterization of robust sublimable switchable SCO complexes. [M24]

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Publications

Reversible coordination-induced spin-state switching in complexes on metal surfaces

Author(s): Alexander Köbke, Florian Gutzeit, Fynn Röhricht, Alexander Schlimm, Jan Grunwald, Felix Tuczek, Michał Studniarek, Danilo Longo, Fadi Choueikani, Edwige Otero, Philippe Ohresser, Sebastian Rohlf, Sven Johannsen, Florian Diekmann, Kai Rossnagel, Alexander Weismann, Torben Jasper-Toennies, Christian Näther, Rainer Herges, Richard Berndt, Manuel Gruber
Published in: Nature Nanotechnology, Issue 15/1, 2020, Page(s) 18-21, ISSN 1748-3387
DOI: 10.1038/s41565-019-0594-8

Downsizing of robust Fe-triazole@SiO2 spin-crossover nanoparticles with ultrathin shells

Author(s): Eugenio Coronado; Frans D. Tichelaar; L. Lima-Moya; Mónica Giménez-Marqués; Henny W. Zandbergen; Ramón Torres-Cavanillas
Published in: Dalton Transactions, Issue 6, 2019, ISSN 1477-9234
DOI: 10.1039/c9dt02086a

Intraconfigurational Transition due to Surface-Induced Symmetry Breaking in Noncovalently Bonded Molecules

Author(s): Mehdi BouatouMehdi Bouatou, Rishav Harsh, Frédéric Joucken, Cyril Chacon, Vincent Repain, Amandine Bellec, Yann Girard, Sylvie Rousset, Robert Sporken, Fei Gao, Mads Brandbyge, Yannick J. Dappe, Cyrille Barreteau, Alexander Smogunov, and Jérôme Lagoute*
Published in: The Journal of Physical Chemistry Letters, 2020, ISSN 1948-7185
DOI: 10.1021/acs.jpclett.0c02407

Iron in a Cage: Fixation of a Fe(II)tpy2 Complex by Fourfold Interlinking.

Author(s): Richard Berndt; Stefan Bernhard; Marcel Mayor; Marcel Mayor; Marcel Mayor; Alessandro Prescimone; Manuel Gruber; Nithin Suryadevara; Sven Johannsen; Daniel Häussinger; Mario Ruben; Mario Ruben; Thomas Brandl
Published in: Angewandte Chemie / International edition, 59 (37), 15947-15952, Issue 6, 2020, ISSN 1521-3773
DOI: 10.5445/ir/1000122754

Epitaxial Thin-Film vs Single Crystal Growth of 2D Hofmann-Type Iron(II) Materials: A Comparative Assessment of their Bi-Stable Spin Crossover Properties

Author(s): Carlos Bartual-Murgui, Víctor Rubio-Giménez, Manuel Meneses-Sánchez, Francisco Javier Valverde-Muñoz, Sergio Tatay, Carlos Martí-Gastaldo, M. Carmen Muñoz, José Antonio Real
Published in: ACS Applied Materials & Interfaces, 2020, ISSN 1944-8244
DOI: 10.1021/acsami.0c05733

Spin in a Closed‐Shell Organic Molecule on a Metal Substrate Generated by a Sigmatropic Reaction

Author(s): Marie‐Laure Bocquet, Nicolas Lorente, Richard Berndt, Manuel Gruber
Published in: Angewandte Chemie International Edition, Issue 58/3, 2019, Page(s) 821-824, ISSN 1433-7851
DOI: 10.1002/anie.201812121

Sensing of the Molecular Spin in Spin-Crossover Nanoparticles with Micromechanical Resonators

Author(s): Julien Dugay, Mónica Giménez-Marqués, Warner J. Venstra, Ramón Torres-Cavanillas, Umit N. Sheombarsing, Nicola Manca, Eugenio Coronado, Herre S. J. van der Zant
Published in: The Journal of Physical Chemistry C, Issue 123/11, 2019, Page(s) 6778-6786, ISSN 1932-7447
DOI: 10.1021/acs.jpcc.8b10096

Control of Dipolar Switches on Graphene by a LocalElectric Field

Author(s): Yann Girard; Jérôme Lagoute; Mehdi Bouatou; Sylvie Rousset; Amandine Bellec; Robert Sporken; Yannick J. Dappe; Vincent Repain; C. Chacon; César González; Frédéric Joucken
Published in: The Journal of Physical Chemistry, Issue 3, 2020, ISSN 1932-7447
DOI: 10.1021/acs.jpcc.0c05101

Direct Observation of the Reduction of a Molecule on Nitrogen Pairs in Doped Graphene

Author(s): Mehdi Bouatou, Sourav Mondal, Cyril Chacon, Frédéric Joucken, Yann Girard, Vincent Repain, Amandine Bellec, Sylvie Rousset, Shobhana Narasimhan, Robert Sporken, Yannick J. Dappe, Jérôme Lagoute
Published in: Nano Letters, Issue 20/9, 2020, Page(s) 6908-6913, ISSN 1530-6984
DOI: 10.1021/acs.nanolett.0c03030

Spin-Crossover Complexes in Direct Contact with Surfaces

Author(s): Richard Berndt; Manuel Gruber
Published in: Magnetochemistry, Issue 6, 2020, ISSN 2312-7481
DOI: 10.3390/magnetochemistry6030035

Importance of Epitaxial Strain at a Spin-Crossover Molecule–Metal Interface

Author(s): Cynthia Fourmental, Sourav Mondal, Rajdeep Banerjee, Amandine Bellec, Yves Garreau, Alessandro Coati, Cyril Chacon, Yann Girard, Jérôme Lagoute, Sylvie Rousset, Marie-Laure Boillot, Talal Mallah, Cristian Enachescu, Cyrille Barreteau, Yannick J. Dappe, Alexander Smogunov, Shobhana Narasimhan, Vincent Repain
Published in: The Journal of Physical Chemistry Letters, Issue 10/14, 2019, Page(s) 4103-4109, ISSN 1948-7185
DOI: 10.1021/acs.jpclett.9b01303

Design of Bistable Gold@Spin‐Crossover Core–Shell Nanoparticles Showing Large Electrical Responses for the Spin Switching

Author(s): Ramón Torres‐Cavanillas, Roger Sanchis‐Gual, Julien Dugay, Marc Coronado‐Puchau, Mónica Giménez‐Marqués, Eugenio Coronado
Published in: Advanced Materials, Issue 31/27, 2019, Page(s) 1900039, ISSN 0935-9648
DOI: 10.1002/adma.201900039

Anomalous Light‐Induced Spin‐State Switching for Iron(II) Spin‐Crossover Molecules in Direct Contact with Metal Surfaces

Author(s): Luqiong Zhang, Yongfeng Tong, Massine Kelai, Amandine Bellec, Jérôme Lagoute, Cyril Chacon, Yann Girard, Sylvie Rousset, Marie‐Laure Boillot, Eric Rivière, Talal Mallah, Edwige Otero, Marie‐Anne Arrio, Philippe Sainctavit, Vincent Repain
Published in: Angewandte Chemie International Edition, Issue 59/32, 2020, Page(s) 13341-13346, ISSN 1433-7851
DOI: 10.1002/anie.202003896

S iesta : Recent developments and applications

Author(s): Alberto García, Nick Papior, Arsalan Akhtar, Emilio Artacho, Volker Blum, Emanuele Bosoni, Pedro Brandimarte, Mads Brandbyge, J. I. Cerdá, Fabiano Corsetti, Ramón Cuadrado, Vladimir Dikan, Jaime Ferrer, Julian Gale, Pablo García-Fernández, V. M. García-Suárez, Sandra García, Georg Huhs, Sergio Illera, Richard Korytár, Peter Koval, Irina Lebedeva, Lin Lin, Pablo López-Tarifa, Sara G. Mayo
Published in: The Journal of Chemical Physics, Issue 152/20, 2020, Page(s) 204108, ISSN 0021-9606
DOI: 10.1063/5.0005077

Magnetocrystalline anisotropy of Fe, Co, and Ni slabs from density functional theory and tight-binding models

Author(s): L. Le Laurent, C. Barreteau, T. Markussen
Published in: Physical Review B, Issue 100/17, 2019, ISSN 2469-9950
DOI: 10.1103/physrevb.100.174426

Fragmentation and Distortion of Terpyridine-Based Spin-Crossover Complexes on Au(111)

Author(s): Thomas Knaak, César González, Yannick J. Dappe, Gero D. Harzmann, Thomas Brandl, Marcel Mayor, Richard Berndt, Manuel Gruber
Published in: The Journal of Physical Chemistry C, Issue 123/7, 2019, Page(s) 4178-4185, ISSN 1932-7447
DOI: 10.1021/acs.jpcc.8b11242

Experimental and theoretical investigations of magnetic anisotropy and magnetic hardening at molecule/ferromagnet interfaces

Author(s): K. Bairagi, A. Bellec, V. Repain, C. Fourmental, C. Chacon, Y. Girard, J. Lagoute, S. Rousset, L. Le Laurent, A. Smogunov, C. Barreteau
Published in: Physical Review B, Issue 98/8, 2018, ISSN 2469-9950
DOI: 10.1103/PhysRevB.98.085432

Molecular electronics: Scanning tunneling microscopy and single-molecule devices

Author(s): Amandine Bellec, Jérôme Lagoute, Vincent Repain
Published in: Comptes Rendus Chimie, 2018, ISSN 1631-0748
DOI: 10.1016/j.crci.2018.06.001

The Kondo resonance line shape in scanning tunnelling spectroscopy: instrumental aspects

Author(s): Manuel Gruber, Alexander Weismann, Richard Berndt
Published in: Journal of Physics: Condensed Matter, Issue 30/42, 2018, Page(s) 424001, ISSN 0953-8984
DOI: 10.1088/1361-648X/aadfa3

Charge Mobility and Dynamics in Spin-Crossover Nanoparticles Studied by Time-Resolved Microwave Conductivity

Author(s): Julien Dugay, Wiel Evers, Ramón Torres-Cavanillas, Mónica Giménez-Marqués, Eugenio Coronado, Herre S. J. Van der Zant
Published in: The Journal of Physical Chemistry Letters, Issue 9/19, 2018, Page(s) 5672-5678, ISSN 1948-7185
DOI: 10.1021/acs.jpclett.8b02267

Deep metallic interdiffusion in a model ferromagnetic/molecular system

Author(s): Cynthia Fourmental, Amandine Bellec, Vincent Repain, Jérôme Lagoute, Cyril Chacon, Yann Girard, Sylvie Rousset, Yannick J. Dappe, Alina Vlad, Andrea Resta, Yves Garreau, Alessandro Coati
Published in: Physical Review Materials, Issue 3/8, 2019, ISSN 2475-9953
DOI: 10.1103/physrevmaterials.3.083603

Inducing and Controlling Molecular Magnetism through Supramolecular Manipulation

Author(s): Jan Homberg, Alexander Weismann, Richard Berndt, Manuel Gruber
Published in: ACS Nano, Issue 14/12, 2020, Page(s) 17387-17395, ISSN 1936-0851
DOI: 10.1021/acsnano.0c07574

Effect of nanostructuration on the spin crossover transition in crystalline ultrathin films

Author(s): Víctor Rubio-Giménez, Carlos Bartual-Murgui, Marta Galbiati, Alejandro Núñez-López, Javier Castells-Gil, Benoit Quinard, Pierre Seneor, Edwige Otero, Philippe Ohresser, Andrés Cantarero, Eugenio Coronado, José Antonio Real, Richard Mattana, Sergio Tatay, Carlos Martí-Gastaldo
Published in: Chemical Science, Issue 10/14, 2019, Page(s) 4038-4047, ISSN 2041-6520
DOI: 10.1039/c8sc04935a

Removing all periodic boundary conditions: Efficient nonequilibrium Green's function calculations

Author(s): Nick Papior, Gaetano Calogero, Susanne Leitherer, and Mads Brandbyge
Published in: Physical Review B, 2019, ISSN 2469-9969
DOI: 10.1103/physrevb.100.195417

QuantumATK: an integrated platform of electronic and atomic-scale modelling tools

Author(s): Søren Smidstrup, Troels Markussen, Pieter Vancraeyveld, Jess Wellendorff, Julian Schneider, Tue Gunst, Brecht Verstichel, Daniele Stradi, Petr A Khomyakov, Ulrik G Vej-Hansen, Maeng-Eun Lee, Samuel T Chill, Filip Rasmussen, Gabriele Penazzi, Fabiano Corsetti, Ari Ojanperä, Kristian Jensen, Mattias L N Palsgaard, Umberto Martinez, Anders Blom, Mads Brandbyge, Kurt Stokbro
Published in: Journal of Physics: Condensed Matter, Issue 32/1, 2020, Page(s) 015901, ISSN 0953-8984
DOI: 10.1088/1361-648x/ab4007