Spin-Crossover and Fragmentation of Fe(neoim)2 on Silver and Gold
Sven Johannsen, Manuel Gruber, Cyrille Barreteau, Maksym Seredyuk, José Antonio Real,
Troels Markussen, and Richard Berndt
J. Phys. Chem. Lett. 14, 7814 (2023).
Observation of the orbital inverse Rashba–Edelstein effect
Anas El Hamdi, Jean-Yves Chauleau, Margherita Boselli, Clémentine Thibault, Cosimo Gorini,
Alexander Smogunov, Cyrille Barreteau, Stefano Gariglio, Jean-Marc Triscone, and Michel Viret ,
Nature Phys. (2023).
Negative Differential Resistance in Spin-Crossover Molecular Devices
Dongzhe Li, Yongfeng Tong, Kaushik Bairagi, Massine Kelai, Yannick J. Dappe, Jérôme Lagoute,
Yann Girard, Sylvie Rousset, Vincent Repain, Cyrille Barreteau, Mads Brandbyge, Alexander Smogunov,
and Amandine Bellec
J. Phys. Chem. Lett. 13, 7514 (2022).
Proposal for All-Electrical Spin Manipulation and Detection for a Single Molecule on Boron-Substituted Graphene
Fei Gao, Dongzhe Li, Cyrille Barreteau, and Mads Brandbyge
Phys. Rev. Lett. 129, 027201 (2022).
Adiabatic spin dynamics and effective exchange interactions from constrained tight-binding electronic structure theory: Beyond the Heisenberg regime
Simon Streib, Ramon Cardias, Manuel Pereiro, Anders Bergman, Erik Sjöqvist, Cyrille Barreteau, Anna Delin, Olle Eriksson, and Danny Thonig
Phys. Rev. B 105, 224408 (2022).
Simulation of thermodynamic properties of magnetic transition metals from an efficient tight-binding model: The case of cobalt and beyond
Alexis Front, Georg Daniel Förster, Van-Truong Tran, Chu-Chun Fu, Cyrille Barreteau, François Ducastelle, and Hakim Amara
Phys. Rev. B 105, 144101 (2022).
Evidence of a C60/Co interface reconstruction and its influence on magnetic properties
Cynthia Fourmental, Ludovic Le Laurent, Vincent Repain, Cyril Chacon, Yann Girard, Jérôme Lagoute, Sylvie Rousset, Alessandro Coati, Yves Garreau, Andrea Resta, Alina Vlad, Cyrille Barreteau, Alexander Smogunov, Dongzhe Li, and Amandine Bellec
Phys. Rev. B 104, 235413 (2021).
Spin dynamics from a constrained magnetic tight-binding model
Ramon Cardias, Cyrille Barreteau, Pascal Thibaudeau, and Chu Chun Fu
Phys. Rev. B 103, 235436 (2021).
Ab initio based models for temperature-dependent magnetochemical interplay in bcc Fe-Mn alloys
Anton Schneider, Chu-Chun Fu, Osamu Waseda, Cyrille Barreteau, and Tilmann Hickel
Phys. Rev. B 103, 024421 (2021).
Magnetic properties of devicelike cobalt/2D materials interfaces
Jacko Rastikian, Stéphan Suffit, Clément Barraud, Amandine Bellec, Vincent Repain, Yves Roussigné, Mohamed Belmeguenai, Samir Farhat, Ludovic Le Laurent, Cyrille Barreteau, and Salim Mourad Chérif
Phys. Rev. Materials 5, 014004 (2021).
Intraconfigurational Transition due to Surface-Induced Symmetry Breaking in Noncovalently Bonded Molecules
Mehdi 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
J. Phys. Chem. Lett. 11, 9329 (2020).
Atomic Diffusion in α-iron across the Curie Point: An Efficient and Transferable Ab Initio–Based Modeling Approach
Anton Schneider, Chu-Chun Fu, Frédéric Soisson, and Cyrille Barreteau
Phys. Rev. Lett. 124, 215901 (2020).
Semirealistic tight-binding model for spin-orbit torques
Guilhem Manchon, Sumit Ghosh, Cyrille Barreteau, and Aurélien Manchon
Phys. Rev. B 101, 174423 (2020).
Magnetocrystalline anisotropy of Fe, Co, and Ni slabs from density functional theory and tight-binding models
Ludovic Le Laurent, Cyrille Barreteau, and Troels Markussen
Phys. Rev. B 100, 174426 (2019).
Importance of Epitaxial Strain at a Spin-Crossover Molecule-Metal Interface
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, and Vincent Repain
J. Phys. Chem. Lett. 10, 4103 (2019).
Local environment dependence of Mn magnetism in bcc iron-manganese alloys:
A first-principles study
Anton Schneider, Chu-Chun Fu, and Cyrille Barreteau
Phys. Rev. B 98, 094426 (2018).
Experimental and theoretical investigations of magnetic anisotropy and magnetic hardening
at molecule/ferromagnet interfaces
K. Bairagi, A. Bellec V. Repain, C. Fourmental, C. Chacon, Y. Girard, J. Lagoute, S. Rousset,
L. Le Laurent, A. Smogunov, and C. Barreteau
Phys. Rev. B 98, 085432 (2018).
A bird's eye view on the flat and conic band world of the honeycomb and Kagome lattices:
towards an understanding of 2D metal-organic frameworks electronic structure
C. Barreteau, F. Ducastelle, T. Mallah
J. Phys.: Condens. Matter 29 465302 (2017).
Strong paramagnon scattering in single atom Pd contacts
V. Schendel, C. Barreteau, M. Brandbyge, B. Borca, I. Pentegov, U. Schlickum, M. Ternes, P. Wahl, K. Kern
Phys. Rev. B 96 035155 (2017).
Interplay between magnetism and energetics in Fe-Cr alloys from a predictive noncollinear magnetic tight-binding model
R. Soulairol, C. Barreteau, and Chu-Chun Fu
Phys. Rev. B 94 024427 (2016).
Molecular-scale dynamics of light-induced spin cross-over in a two-dimensional layer
Kaushik Bairagi, Olga Iasco, Amandine Bellec, Alexey Kartsev, Dongzhe Li, Jérôme Lagoute, Cyril Chacon, Yann Girard, Sylvie Rousset, Frédéric Miserque, Yannick J Dappe, Alexander Smogunov, Cyrille Barreteau, Marie-Laure Boillot, Talal Mallah & Vincent Repain
Nature Communication 7 12212 (2016).
Magnetocrystalline anisotropy of Fe and Co slabs and clusters on SrTiO3 by first-principles
Dongzhe Li, Cyrille Barreteau, and Alexander Smogunov
Phys. Rev. B 93 144405 (2016).
An efficient magnetic tight-binding method for transition metals and alloys
C. Barreteau, D. Spanjaard, MC Desjonqueres
Comptes Rendus Physique 17 406-429 (2016).
Symmetry-selected spin-split hybrid states in C60/ferromagnetic interfaces
Dongzhe Li, Cyrille Barreteau, Seiji Leo Kawahara, Jérôme Lagoute, Cyril Chacon, Yann Girard, Sylvie Rousset, Vincent Repain, and Alexander Smogunov
Phys. Rev. B 93 085425 (2016).
Tuning the Magnetic Anisotropy at a Molecule-Metal Interface
K. Bairagi, A. Bellec, V. Repain, C. Chacon, Y. Girard, Y. Garreau, J. Lagoute, S. Rousset, R. Breitwieser, Yu-Cheng Hu, Yen Cheng Chao, Woei Wu Pai, D. Li, A. Smogunov, and C. Barreteau
Phys. Rev. Lett. 114 247203 (2015).
C-60 as an Atom Trap to Capture Co Adatoms
Peng Yang, Dongzhe Li, Vincent Repain, Cyril Chacon, Yann Girard, Sylvie Rousset,Alexander Smogunov, Yannick J. Dappe, Cyrille Barreteau, and Jérôme Lagoute
JOURNAL OF PHYSICAL CHEMISTRY C 119 6873-6879 (2015).
Out- versus in-plane magnetic anisotropy of free Fe and Co nanocrystals: Tight-binding and first-principles studies
Dongzhe Li, Cyrille Barreteau, Martin R. Castell, Fabien Silly, and Alexander Smogunov
Phys. Rev. B 90 205409 (2014).
Tailoring the Structure of Two-Dimensional Self-Assembled Nanoarchitectures Based on Ni-II-Salen Building Blocks
M. Viciano-Chumillas; D. Li, A. Smogunov, S. Latil, YJ Dappe, C. Barreteau,T. Mallah, F. Silly
Chemistry: A European Journal 20 13566 (2014).
Magnetocrystalline anisotropy energy of Fe(001) and Fe(110) slabs and nanoclusters: A detailed local analysis within a tight-binding model
D. Li, A. Smogunov, C. Barreteau, F. Ducastelle, and D. Spanjaard
Phys. Rev. B 88 214413 (2013).
Electronic and magnetic structure of the Cr(001) surface
P. Habibi, C. Barreteau and A. Smogunov
J. Phys.: Condens. Matter 25 146002 (2013).
Anisotropic magnetic molecular dynamics of cobalt nanowires
David Beaujouan, Pascal Thibaudeau and Cyrille Barreteau
Phys. Rev. B 86 174409 (2012).
Magnetic and electronic properties of bulk and clusters of FePt L10.
Cyrille Barreteau and Daniel Spanjaard
J. Phys.: Condens. Matter 24 406004 (2012).
Large Magnetoresistance through a Single Molecule due to a Spin-Split Hybridized Orbital
S. L. Kawahara, J. Lagoute, V. Repain, C. Chacon, Y. Girard, S. Rousset, A. Smogunov,
and C. Barreteau
Nano Lett. 12, 4558-4563 (2012).
Thermal behavior of superparamagnetic cobalt nanodots explored by
anisotropic magnetic molecular dynamics simulations.
David Beaujouan, Pascal Thibaudeau, and Cyrille Barreteau
J. Appl. Phys. 111, 07D126 (2012)
Magnetic and energetic properties of low-index Cr surfaces and Fe/Cr interfaces: A first-principles study
R. Soulairol, Chu-Chun Fu and C. Barreteau
Phys. Rev. B 84, 155402 (2011).
Vacancy and substitutional impurities in the spin-density wave state of Cr from first principles
R. Soulairol, Chu-Chun Fu and C. Barreteau
Phys. Rev. B 83, 214103 (2011).
Structure and magnetism of bulk Fe and Cr: from plane waves to LCAO methods
R. Soulairol, Chu-Chun Fu and C. Barreteau
J. Phys.: Condens. Matter 22, 295502 (2010).
Giant orbital moments are responsible for the anisotropic magnetoresistance of atomic contacts
G. Autès, C. Barreteau, M.C. Desjonquères, D. Spanjaard and M. Viret
Euro. Phys. Lett. 83, 17010 (2008).
Electronic transport in iron atomic contacts: From the infinite wire to realistic geometries
G. Autès, C. Barreteau, M.C. Desjonquères and D. Spanjaard
Phys. Rev. B 77, 155437 (2008).
Orbital contribution to the magnetic properties of iron as a function of dimensionality
M.C. Desjonquères, C. Barreteau, G. Autès and D. Spanjaard
Phys. Rev. B 76, 024412 (2007).
Orbital contribution to the magnetic properties of nanowires: is the orbital polarization ansatz justified?
M.C. Desjonquères, C. Barreteau, G. Autès and D. Spanjaard
Eur. Phys. J. B 55, 23 (2007).
Magnetism of iron: from the bulk to the monatomic wire
Gabriel Autès, Cyrille Barreteau, Daniel Spanjaard and Marie-Catherine Desjonquères
J. Phys.: Condens. Matter 18 (2006) 6785-6813.
Giant anisotropic magneto-resistance in ferromagnetic atomic contacts
M. Viret, M. Gabureac, F. Ott, C. Fermon, C. Barreteau, G. Autes and R. Guirado-Lopez
The European Physical Journal B
51, 1-4 (2006).
All-electron first-principles investigations of the energetics of vicinal Cu surfaces
Juarez L.F. Da Silva, Cyrille Barreteau, Kurt Schroeder and Stefan Blugel,
Physical Review B 73, 125402 (2006) .
Diffusion rates of Cu adatoms on Cu(111) in the presence of adisland nucleated at fcc and hcp sites
Mihai-Cosmin Marinica, Cyrille Barreteau, Daniel Spanjaard and Marie-Catherine Desjonquères.
Physical
Review B 72, 115402 (2005) .
Comparative study of ab-initio and tight binding electronic structure
calculations applied to Platinum surfaces. S. Baud, C. Ramseyer, G.
Bihlmayer, S. Blugel, C. Barreteau, M.C.Desjonquères, D. Spanjaard and
N. Bernstein. Physical Review B 70, 235423 (2004).
Influence of short range adatom-adatom interactions on the surface
diffusion of Cu on Cu(111). M.-C. Marinica, C. Barreteau, M-C. Desjonquères
and D. Spanjaard. Physical
Review B 70, 075415 (2004).
Strain-induced omega phase in titanium films on Al2O3(0001). E.
Sondergard, O. Kerjan, C. Barreteau, J. Jupille. Surface
Science 559, 131 (2004).
Effects of intersite Coulomb interactions on ferromagnetism: Application
to Fe, Co and Ni. C. Barreteau, M.C. Desjonquères, A.M. Oles and D.
Spanjaard. Physical
Review B 69, 064432 (2004).
The phonon spectra and vibrational thermodynamical properties of Cu
vicinal surfaces. C. Barreteau, F. Raouafi, M.C. Desjonquères and
D. Spanjaard. Surface
Science 519 (2002) 15.
Stability of vicinal metal surfaces: from semi-empirical potentials
to electronic structure calculations. F. Raouafi, C. Barreteau, D.
Spanjaard and M.C. Desjonquères. Physical
Review B 66, 045410 (2002).
Energetics of stepped and kinked surfaces of Rh, Pd and Cu from electronic
structure calculations. F. Raouafi, C. Barreteau, M.C. Desjonquères
and D. Spanjaard. Surface
Science 505 (2002) 183.
Stability of metal vicinal surfaces revisited. M.C. Desjonquères,
D. Spanjaard, C. Barreteau and F. Raouafi, Physical
Review Letters 88, 056104 (2002).
Growth of compositon-modulated Ag/Co wires on Pt(997). P.Gambardella,
M. Blanc, K. Kuhnke, K. Kern, F. Picaud, C. Ramseyer, C.Girardet, C. Barreteau,
D. Spanjaard and M.C. Desjonquères. Physical
Review B 64, 045404 (2001).
Theoretical study of the icosahedral to cuboctahedral structural transition
in Rh and Pd clusters.C. Barreteau, M.C. Desjonquères and D. Spanjaard,
Eur. Phys. Jour. D 11, 395 (2000).
spd tight-binding model of magnetism in transition metals: Application
to Rh and Pd clusters and slabs. C. Barreteau, R. Guirado-Lopez, D.
Spanjaard, M.C. Desjonquères and A.M. Oles, Physical
Review B 61, 7781 (2000).
Electronic structure and total energy of transition metals from an
spd tight-binding method: application to surfaces and clusters of Rh.
C. Barreteau, D. Spanjaard and M.C. Desjonquères, Physical
Review B 58, 9721 (1998).
Critical Behavior of antiphase boundaries in FeAl27% close
to DO3-B2 phase transition. D.Le Floc'h, A. Loiseau, C. Ricolleau,
C. Barreteau, R. Caudron F. Ducastelle and J.M. Pénisson. Physical
Review Letters 81, 2272 (1998).
Quantitative transmission electron microscopy in substitutionally disordered
alloys. C. Barreteau and F. Ducastelle. Physical
Review Letters 75, 284 (1995)
The orthogonalized plane-wave method applied to
the calculation of dynamical effects in electron diffraction. C. Barreteau
and F. Ducastelle
Ultramicroscopy 57, 11-15 (1995).
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