M4. Magentic Molecular Multifunctional Materials. Materials Science Institute of Aragon. Universidad de Zaragoza.

The main research line of the group is the study of multifuncional magnetic molecular materials by combining experimental methods, in particular advanced neutron techniques, with theoretical models an ab initio quantum chemistry methods (including relativistic multiconfigurational wavefunction methods for the study of the magnetic anisotropy).

Personnel

• Members: Javier Luzón, Javier Campo, Clara Rodríguez.

Research lines:

The M4 group has three main research lines which are strongly intercorrelated:

• Research on magnetic molecular materials including the following kind of materials:
  • Single Molecule Magnets: Magnetically isolated molecules which, due to a large uniaxial magnetic anisotropy, are able to retain the direction of the magnetic moment at zero magnetic field below a “blocking” temperature. This behaviour, similar to conventional macroscopic hard magnets, makes these material suitable for future technological applications in molecular-size magnetic memories and in quantum computation.
  • Chiral Magnets: Materials with a chiral magnetic structure which heir fascinating properties could make them important ingredients for future information technology applications.
  • Purely organic magnets: Materials with a ferromagnetic ordering despite the lack of magnetic ions (3d, 4f,...) in their chemical formula which show interesting properties (flexibility, lightness, biocompatibility... ) not present in conventional magnets.
• Use of advanced neutron techniques with particular expertise in:
  • Powder and single-crystal neutron diffraction for nuclear and magnetic structure resolution.
  • Polarized neutron diffraction for spin density distribution studies.
  • Inelastic neutron scattering for the determination of energy level structures and magnetic coupling constants.
  
  

  Moreover, J. Campo is the coordinator of the spanish collaboration in two instruments (D1B & D15) at the international neutron laboratory "Institut Laue Langevin" (ILL).

• Modelization of magnetic insulator materials through the combination of ab initio quantum chemistry methods and theoretical-statistical models. In this research line the group has been focus in the last years in the study of the magnetic anisotropy by using relativistic multi-wavefunction methods (needed to treat the spin-orbit coupling effect). Some of the quantum chemistry software in which the group has experience are: Gaussian (DFT), Gamess (DFT), Crystal (Periodic DFT), NwChem (parallel DFT), Orca (DFT and multiconfigurational methods) and Molcas (DFT and multiconfigurational methods).

Research projects:

• "Rebuild of the D1B detector." ILL & UNIZAR OTRI 2008-0569. Amount granted: 394.986 €
• "Los CRG’s españoles del ILL (III)." MICINN - CSIC. Amount granted: 730.721 €
• "Neutron Scattering and Muon Spectroscopy Integrated Initiative (NMI3-II)" FP7-INFRASTRUCTURES-2011-1 (283883). Amount granted: 94.560 €.
• "Preparation and characterization of multifuncional magnetic molecular materials of interest for spintronics and energy applications." MAT2011-27233. Amount granted: 140496 €.

Selection of recent publications (in the last 5 years):

• "Influence of Ferromagnetic Connection of Ising-type DyIII-based Single Ion Magnets on their magnetic slow relaxation.". K. Bernot, X. Yi, O. Cador, J. Luzon, G. Calvez, C. Daiguebonne and O Guillou. Dalton Trans. 42, 6728 (2013)
• "Field-induced internal Fe and Ln spin reorientation in butterfly {Fe_ {3} LnO_ {2}}(Ln= Dy and Gd) single-molecule magnets". L. Badía-Romano, F. Bartolomé, J. Bartolomé, J. Luzón, D. Prodius, C Turta, V. Mereacre, F. Wilhelm and A. Rogalev Phys. Rev. B, 87, 184403 (2013)
• "{Dy (α-fur) 3} n: from double relaxation Single-Ion Magnet behavior to 3D ordering". E. Bartolomé, J. Bartolomé, S. Melnic, D. Prodius, S. Shova, A. Arauzo, J. Luzón, F. Luis and C. Turta. Dalton Trans. 42, 10143 (2013)
• "Magnetic Anisotropy and Spin-Parity Effect Along the Series of Lanthanide Complexes with DOTA". M.E. Boulon, G. Cucinotta, J.Luzon, C. Degl'Innocenti, M. Perfetti, K. Bernot, G.Calvez, A. Caneschi. Angew. Chem. Int. Ed. 52, 350 (2013)
• "Localized translational motions in semicrystalline Poly(ethylene terephthalate) studied by Incoherent quasielastic neutron scattering". A. Sanz, T. A. Ezquerra, M. Garcia Gutiérrez, I. Puente-Orench, J. Campo and A. Nogales. Eur. Phys. J. E. 36, 24 (2013)
• "Shell pressure on the core of MnO/Mn3O4 core/shell nanoparticles". N.J.O. Silva, M. Karmaoui, V.S. Amaral, I. Puente-Orench, J. Campo, I. da Silva, A. Ibarra, R. Bustamante, A. Millan and F. Palacio. Phys. Rev. B 87, 224429 (2013)
• "Magnetic Anisotropy in a Dysprosium/DOTA Single-Molecule Magnet: Beyond Simple Magneto-Structural Correlations". G. Cucinotta, M. Perfetti, J.Luzon, M. Etienne, P.E. Car, A. Caneschi, G. Calvez, K. Bernot, R. Sessoli. Angew. Chem. Int. Ed. 51, 1606 (2012)
• "Lanthanides in molecular magnetism: so fascinating, so challenging". J. Luzon and R. Sessoli. Dalton Trans. 44, 13556 (2012)
• "Magnetic properties of the seven-coordinated nanoporous framework material Co(bpy)(1.5)(NO3)(2) (bpy=4,4 '-bipyridine)". E. Bartolome, P.J. Alonso, A. Arauzo, J. Luzon, J. Bartolome, C. Racles, C.Turta. Dalton Trans. 41, 10382 (2012)
• "Neutron-diffraction evidence for the ferrimagnetic ground state of a molecule-based magnet with weakly coupled sublattices". S. Fishman, T. E Vos, J. Campo and J. S. Miller . J. Phys.: Condens. Matter 24, 496001 (2012)
• "Neutron diffraction and magnetism of CoO antiferromagnetic nanoparticles". N. J. O. Silva, I Puente, M Martins, T. Trindade, A. Millán, J. Campo, F. Palacio . J. Phys Conf Series, 325, 012020 (2011)
• "XtremeD – a new neutron diffractometer for high pressures and magnetic fields at ILL developed by Spain". J. A. Rodríguez-Velamazán, J. Campo, J. Rodríguez-Carvajal and P. Noguera. J Phys Conf Series, 325, 012010 (2011)
• "Neutron diffraction for studying the influence of the relative humidity on the carbonation process of cement pastes". I. Galan, C Andrade, M Castellote, N Rebolledo, J Sanchez, L Toro, I Puente, J Campo and O Fabelo . J Phys Conf Series, 325, 012015 (2011)
• "Low Temperature Neutron Diffraction Studies in [Mn3(suc)2(ina)2]n: An Homometallic Molecular 3D Ferrimagnet". O. Fabelo, L. Cañadillas-Delgado, I. Puente-Orench, J. A. Rodríguez-Velamazán, J. Campo, and J. Rodríguez-Carvajal. Inorganic Chemistry 50, 7129 - 7135 (2011)
• "Structural investigation of the negative-thermal-expansion in Yttrium and Rare earth molybdates". C. Guzmán-Afonso, C. González-Silgo, J. González-Platas, A. D. Lozano-Gorrín, N. Sabalisck, V. Sánchez-Fajardo, M. Eulalio Torres, J. Campo and I. Martín . J. Phys. Condens. Matt. 23, 325402 (2011)
• "Manganese(II) butyrate-based MOFs: Structures, Thermal and Magnetic Properties". F. J. Martínez Casado, O. Fabelo, J. A. Rodríguez-Velamazán, M. Ramos Riesco, J. A. Rodríguez Cheda, A. Labrador, C. Rodríguez-Blanco, J. Campo, V. Sánchez-Alarcos, H. Müller . J Crystal Growth 11, 4080 (2011)
• "Magnetic dipolar ordering and quantum phase transition in Fe8 molecular magnet". E. Burzurí, F. Luis, O. Montero, J. Campo, B. Barbara, R. Ballou, E. Ressouche, S. Maegawa . Phys Rev Lett. 107, p 097203 (2011)
• "A tetragonal 2D array of single-molecule magnets with modulated collective behavior". E. Burzurí, J. Campo, L. R. Falvello, E. Forcén-Vazquez, F. Luis, I. Mayoral, F. Palacio, C. Sáenz de Pipaón and M. Tomás . Chem. Eur. J. 17, 2818 (2011)
• "Spin delocalization in the molecular manganese tetra-helicate cluster: [Mn3L4](ClO4)2(H2O)2". C. Rodríguez-Blanco, J A Rodríguez-Velamazán, J Campo, B Gillon, J Sánchez Costa, P Gamez and J Luzón J. Phys Conf Series, 325, 012009 (2011)
• "Coupling Dy-3 Triangles Enhances Their Slow Magnetic Relaxation". I. J. Hewitt, J. Tang, N.T. Madhu, C.E. Anson, Y.H. Lan, J. Luzon, M. Etienne, R. Sessoli, and A. K. Powell. Angew. Chem. Int. Ed. 49, 6352 (2010)
• "Magnetic field and temperature dependence of the amplitude-modulated magnetic structure of PrNi2Si2 determined by single-crystal neutron diffraction". J. A. Blanco, B. Fak, E. Ressouche, B. Grenier, M. Rotter, D. Schmitt, J.A. Rodríguez-Velamazán, J. Campo and P. Lejay . Phys. Rev. B 82, 054414 (2010)
• "How crystalline disorder affects quantum tunneling in single molecule magnets". C. Carbonera, F. Luis, J. Campo, J. Sánchez-Marcos, A. Camón, J. Chaboy, D. Ruiz-Molina, I. Imaz, J. van Slageren, S. Dengler and M. González . Phys. Rev. B 81, 014427 (2010)
• "Spin density studies on p-O2 NC 6F 4CNSSN: A heavy p-block organic ferromagnet". J. Luzón, J.Campo, F. Palacio, G.J. McIntyre, J.M. Rawson, R. J. Less, C.M. Pask, A. Alberola, R.D. Farley, D.M. Murphy, A.E. Goeta . Phys. Rev. B 81, 144429 (2010)
• "Remanent magnetization in CoO antiferromagnetic nanoparticles". N. J. O. Silva, A. Millán, and F. Palacio, M. Martins and T. Trindade, I. Puente-Orench and J. Campo . Phys Rev B 82, 094433 (2010)
• "Magnetism of the spin-chain compound Ca3Co1.9Fe0.1O6: Magnetization and neutron diffraction study". A. Jain, S. M. Yusuf, J. Campo, L. Keller . J. Phys.: Conf. Ser. 200, 022021 (2010)
• "Magnetic anisotropy of Dysprosium (III) in a low symmetry environment: a theoretical and experimental investigation." K. Bernot, J. Luzon, L. Bogani, A. Caneschi, M. Etienne, C. Sangregorio, M. Shanmugam, R. Sessoli and D. Gatteschi. J. Am. Chem. Soc. 131, 5573 (2009)
• "Spin canting in a Dy-based Single-Chain Magnet with dominant next-nearest neighbor antiferromagnetic interactions". K. Bernot, J. Luzon, A. Caneschi, D. Gatteschi, R. Sessoli, L. Bogani, A. Vindigni, A. Rettori and M. G. Pini. Phys. Rev. B. 79, 134419 (2009)
• "Opening up a Dysprossium triangle by ligand oximation". I. J. Hewitt, Y.H. Lan, C.E. Anson, J. Luzon, R. Sessoli, and A. K. Powell. Chem. Comm. 44, 6765 (2009)
• "Effect of crystalline disorder on quantum tunneling in the single-molecule magnet Mn12 benzoate". C. Carbonera, F. Luis, J. Campo, J. Sánchez-Marcos, A. Camón, J. Chaboy, D. Ruiz-Molina, I. Imaz, J. van Slageren, S. Dengler and M. González . Phys. Rev. B 81, 014427 (2009)
• "Particle-size dependence of magnetization relaxation in Mn-12 crystals". N. Domingo, F. Luis, M. Nakano,M. Muntó,J. Gómez,J. Chaboy,N. Ventosa, J. Campo,J. Veciana and D. Ruiz-Molina. Phys. Rev. B 79, 214404 (2009)
• "Magnetic ordering in the spin-chain compounds Ca3Co2-xFexO6 (x= 0.2 and 0.4): A neutron diffraction study". A. Jain, S.M Yusuf, J. Campo and L. Keller . Phys. Rev. B 79, 184428 (2009)
• "Crystallization of Fe75Zr25 metallic glass: a two-step process involving metastable bcc-Fe and polymorphic transformation". P. Gorria, J. S. Garitaonandia, M. J. Pérez, J. A. Blanco, and J. Campo. Phys. Status Solidi RRL 3, 28 (2009)
• "The Canted Antiferromagnetic Approach to Single Chain Magnets." K. Bernot, J. Luzon, R. Sessoli, A. Vindigni, J. Thion, S. Richeter, D. Leclercq, J. Larionova, A. van der Lee. J. Am. Chem. Soc. 130, 1619 (2008)
• "Spin Chirality in a Molecular Dysprosium Triangle: The Archetype of the Noncollinear Ising Model." J. Luzon, K. Bernot, I. J. Hewitt, C. E. Anson, A. K. Powell and R. Sessoli. Phys. Rev. Lett. 100, 247205 (2008)
• "Prediction of the equilibrium structures and photomagnetic properties of the Prussian blue analogue RbMn[Fe(CN)6] by density functional theory". J. Luzon, M. Castro, E. J. Vertelman, R. Y. Gengler, P. J. van Koningsbruggen,O. Molodtsova, M. Knupfer, P. Rudolf, P. H. van Loosdrecht and R. Broer. J. Phys. Chem. A, 112, 5742 (2008)
• "Understanding magnetic interactions in the series A2Fe5 • H2 O (A=K, Rb; X= Cl, Br). I Spin densities by polarized nautron diffraction and DFT calculations." J. Luzón, J. Campo F. Palacio, G.J. McIntyre and A. Millán . Phys. Rev. B 78, 054414 (2008)
• "Understanding magnetic interactions in the series A2Fe5 • H2 O (A=K, Rb; X= Cl, Br). II. Inelastic neutron scattering and DFT studies.". J. Campo, J. Luzón, F. Palacio, G.J. McIntyre, A. Millán and A. R. Wildes . Phys. Rev. B 78, 054415 (2008)
• "Reversible Single-Crystal-to-Single-Crystal Cross-Linking of a Ribbon of Cobalt Citrate Cubanes To Forma 2 D Net". J. Campo, L. R. Falvello, I. Mayoral, F. Palacio, T. Soler, M. Tomás . J. Am. Chem. Soc. 130, 2932 (2008)
• "Interplay between Er and Co Magnetism in ErCo2". J. Herrero-Albillos, F. Bartolomé, L.M. García, A.T. Young, T. Funk, J. Campo and G.J. Cuello . J. Appl. Phys.103, 07E146 (2008)
• "Valance-Tautomeric Metal-Organic Nanoparticles". I. Imaz, D. Maspoch, C. Rodríguez-Blanco, J.M. Pérez-Falcón, J. Campo and D. Ruiz-Molina . Angew.Chem. Int. Ed. 47, 1857 (2008)
• "Analysis of the diffraction-line broadening on nanostructured Fe: size-strain effects induced by milling and heating". D. Martínez-Blanco, P. Gorría, J. A. Blanco, M.J. Pérez and J. Campo J. Phys. Condens. Matter 20, 335213 (2008)
• "Structural, magnetic and magnetotransport properties of La0.7Pb0.3(Mn1-xNix)O3 (0.1 < x < 0.3) CMR manganites". A. Peña, J. Gutiérrez, J. Campo, J.M. Barandiarán, L. Lezama, I. Gil de Muro and T. Rojo . Eur. J. Inorg. Chem. 16, 2569 (2008)
• "Solvent effects on valence tautomerism: A comparison between the interconversion in solution and solid". E. Evangelio, C. Rodriguez-Blanco, D. N Hendrickson,. J. P. Sutter, J. Campo, and D. Ruiz-Molina . Solid State Sciences. 11, 793 (2008)