Atomic Manipulation and Spectroscopy Group

Group Leader: Aitor Mugarza



  • In-Situ Scrutiny of the Relationship between Polymorphic Phases and Properties of Self-Assembled Monolayers of a Biphenyl Based Thiol

    Paradinas M., Munuera C., Buck M., Ocal C. Journal of Physical Chemistry B; 122 (2): 657 - 665. 2018. 10.1021/acs.jpcb.7b05958.

    Two polymorphic phases of ω-(4′-methylbiphenyl-4-yl) butane-1-thiol (BP4) molecules formed on Au(111) were investigated by multidimensional atomic force microscopy, combining conductivity measurements, electrostatic characterization, friction force mapping, and normal force spectroscopy. Based on the same molecular structure but differing in molecular order, packing density, and molecular tilt, the two phases serve as a test bench to establish the structure-property relationships in self-assembled monolayers (SAMs). From a detailed analysis of the charge transport and electrostatics, the contributions of geometrical and electronic effects to the tunneling are discussed. © 2017 American Chemical Society.

  • Real Space Demonstration of Induced Crystalline 3D Nanostructuration of Organic Layers

    Paradinas M., Pérez-Rodríguez A., Barrena E., Ocal C. Journal of Physical Chemistry B; 122 (2): 633 - 639. 2018. 10.1021/acs.jpcb.7b05342.

    The controlled 3D nanostructuration of molecular layers of the semiconducting molecules C22H14 (pentacene) and N,N′-dioctyl-3,4,9,10-perylene tetracarboxylic diimide (PTCDI-C8) is addressed. A tip-assisted method using atomic force microscopy (AFM) is developed for removing part of the organic material and relocating it in up to six layer thick nanostructures. Moreover, unconventional molecular scale imaging combining diverse friction force microscopy modes reveals the stacking sequence of the piled layers. In particular, we unambiguously achieve epitaxial growth, an issue of fundamental importance in thin film strategies for the nanostructuration of more efficient organic nanodevices. © 2017 American Chemical Society.


  • Electronic Structure of Titanylphthalocyanine Layers on Ag(111)

    Lerch A., Fernandez L., Ilyn M., Gastaldo M., Paradinas M., Valbuena M.A., Mugarza A., Ibrahim A.B.M., Sundermeyer J., Höfer U., Schiller F. Journal of Physical Chemistry C; 121 (45): 25353 - 25363. 2017. 10.1021/acs.jpcc.7b09147.

    We have investigated the electronic structures of axially oxo functionalized titanylphthalocyanine (TiOPc) on Ag(111) by X-ray and ultraviolet photoelectron spectroscopies, two-photon photoemission, X-ray absorption spectroscopy, and X-ray magnetic circular dichroism. Furthermore, we use complementary data of TiOPc on graphite and planar copper phthalocyanine (CuPc) on Ag(111) for a comparative analysis. Both molecules adsorb on Ag(111) in a parallel orientation to the surface, for TiOPc with an oxygen-up configuration. The interaction of nitrogen and carbon atoms with the substrate is similar for both molecules, while the bonding of the titanium atom to Ag(111) in the monolayer is found to be slightly more pronounced than in the CuPc case. Ultraviolet photoemission spectroscopy reveals an occupation of the lowest unoccupied molecular orbital (LUMO) level in monolayer thick TiOPc on Ag(111) related to the interaction of the molecules and the silver substrate. This molecule-metal interaction also causes an upward shift of the Ag(111) Shockley state that is transformed into an unoccupied interface state with energies of 0.23 and 0.33 eV for the TiOPc monolayer and bilayer, respectively, at the Brillouin zone center. © 2017 American Chemical Society.

  • Growth of Twin-Free and Low-Doped Topological Insulators on BaF2(111)

    Bonell F., Cuxart M.G., Song K., Robles R., Ordejón P., Roche S., Mugarza A., Valenzuela S.O. Crystal Growth and Design; 17 (9): 4655 - 4660. 2017. 10.1021/acs.cgd.7b00525. IF: 4.055

    We demonstrate the growth of twin-free Bi2Te3 and Sb2Te3 topological insulators by molecular beam epitaxy and a sizable reduction of the twin density in Bi2Se3 on lattice-matched BaF2(111) substrates. Using X-ray diffraction, electron diffraction and atomic force microscopy, we systematically investigate the parameters influencing the formation of twin domains and the morphology of the films, and show that Se- and Te-based alloys differ by their growth mechanism. Optimum growth parameters are shown to result in intrinsically low-doped films, as probed by angle-resolved photoelectron spectroscopy. In contrast to previous approaches in which twin-free Bi2Se3 films are achieved by increasing the substrate roughness, the quality of our Bi2Te3 is superior on the flattest BaF2 substrates. This finding indicates that, during nucleation, the films not only interact with the topmost atomic substrate layer but also with buried layers that provide the necessary stacking information to promote a single twin, an observation that is supported by ab initio calculations. © 2017 American Chemical Society.

  • Inductively coupled remote plasma-enhanced chemical vapor deposition (rPE-CVD) as a versatile route for the deposition of graphene micro- and nanostructures

    Cuxart M.G., Šics I., Goñi A.R., Pach E., Sauthier G., Paradinas M., Foerster M., Aballe L., Fernandez H.M., Carlino V., Pellegrin E. Carbon; 117: 331 - 342. 2017. 10.1016/j.carbon.2017.02.067. IF: 6.337

    Multiple layers of graphene thin films with micro-crystalline orientation and vertical graphene nano-sheets were grown on different substrates (i.e., polycrystalline nickel foil, Ni(111), highly oriented pyrolytic graphite) using a single-step process based on low-pressure remote Plasma-Enhanced Chemical Vapor Deposition (rPE-CVD). In contrast to previous studies, a novel basic approach to this technique including a new remote inductively coupled RF plasma source has been used to (i) minimize the orientational effect of the plasma electrical fields during the catalyst-free growth of graphene nano-sheets, (ii) warrant for a low graphene defect density via low plasma kinetics, (iii) decouple the dissociation process of the gas from the growth process of graphene on the substrate, (iv) tune the feedstock gas chemistry in view of improving the graphene growth, and (v) reduce the growth temperature as compared to conventional chemical vapor deposition (CVD). In order to study the various aspects of the rPE-CVD graphene growth modes and to assess the characteristics of the resulting graphene layers, Raman spectroscopy, XPS, SEM, and STM were used. The results give evidence for the successful performance of this new rPE-CVD plasma deposition source, that can be combined with in situ UHV-based processess for the production of, e. g., hybrid metal ferromagnet/graphene systems. © 2017 Elsevier Ltd

  • Kondo screening of the spin and orbital magnetic moments of Fe impurities in Cu

    Joly L., Kappler J.-P., Ohresser P., Sainctavit P., Henry Y., Gautier F., Schmerber G., Kim D.J., Goyhenex C., Bulou H., Bengone O., Kavich J., Gambardella P., Scheurer F. Physical Review B; 95 (4, 041108) 2017. 10.1103/PhysRevB.95.041108. IF: 3.836

    We use x-ray magnetic circular dichroism to evidence the effect of correlations on the local impurity magnetic moment in an archetypal Kondo system, namely, a dilute Cu:Fe alloy. Applying the sum rules on the Fe L2,3 absorption edges, the evolution of the spin and orbital moments across the Kondo temperature are determined separately. The spin moment presents a crossover from a nearly temperature-independent regime below the Kondo temperature to a paramagneticlike regime above. Conversely, the weak orbital moment shows a temperature-independent behavior in the whole temperature range, suggesting different Kondo screening temperature scales for the spin and orbital moments. © 2017 American Physical Society.

  • Partial oxidation in a dense phase sub-monolayer of Fe-phthalocyanine on Ag(110)

    Bartolomé E., Bartolomé J., Sedona F., Herrero-Albillos J., Lobo J., Piantek M., García L.M., Panighel M., Mugarza A., Sambi M., Bartolomé F. Solid State Phenomena; 257: 219 - 222. 2017. 10.4028/ IF: 0.493

    In this contribution we report on the structural and magnetic changes along a catalytic cycle of a new dense, “quasi-squared” FePc submonolayer phase (R3) evaporated on Ag(110). X-ray magnetic circular dichroism (XMCD) experiments at the Fe L2,3 edge were performed on four samples: the as-evaporated phase (R3), two differently oxygenated samples (OX1 and OX2) and the annealed phase (ANN). It is concluded that all characterized phases display planar anisotropy, and the values of ms eff/nh are one order of magnitude larger than mL/nh. By oxidation, the isotropic moment increases from 7.2 x 10-2 μB/hole to 1.8 x 10-1 μB/hole, which is about a factor of 2 smaller than the increase achieved for the low-density phase. © 2017 Trans Tech Publications, Switzerland.

  • Symmetry forbidden morphologies and domain boundaries in nanoscale graphene islands

    Parreiras S.O., Gastaldo M., Moreno C., Martins M.D., Garcia-Lekue A., Ceballos G., Paniago R., Mugarza A. 2D Materials; 4 (2, 025104) 2017. 10.1088/2053-1583/aa70fa. IF: 6.937

    The synthesis of graphene nanoislands with tailored quantum properties requires an atomic control of the morphology and crystal structure. As one reduces their size down to the nanometer scale, domain boundary and edge energetics, as well as nucleation and growth mechanisms impose different stability and kinetic landscape from that at the microscale. This offers the possibility to synthesize structures that are exclusive to the nanoscale, but also calls for fundamental growth studies in order to control them. By employing high-resolution scanning tunneling microscopy we elucidate the atomic stacking configurations, domain boundaries, and edge structure of graphene nanoislands grown on Ni(1 1 1) by CVD and post-annealed at different temperatures. We find a non-conventional multistep mechanism that separates the thermal regimes for growth, edge reconstruction, and final stacking configuration, leading to nanoisland morphologies that are incompatible with their stacking symmetry. Whole islands shift their stacking configuration during cooling down, and others present continuous transitions at the edges. A statistical analysis of the domain structures obtained at different annealing temperatures reveals how polycrystalline, ill-defined structures heal into shape-selected islands of a single predominant stacking. The high crystallinity and the control on morphology and edge structure makes these graphene nanoislands ideal for their application in optoelectronics and spintronics. © 2017 IOP Publishing Ltd.


  • Film Quality and Electronic Properties of a Surface-Anchored Metal-Organic Framework Revealed by using a Multi-technique Approach

    Liu J., Paradinas M., Heinke L., Buck M., Ocal C., Mugnaini V., Wöll C. ChemElectroChem; 3 (5): 713 - 718. 2016. 10.1002/celc.201500486. IF: 3.506

    The virtually unlimited versatility and unparalleled level of control in the design of metal-organic frameworks (MOFs) has recently been shown to also entail a potential for applications based on the electrical and electronic properties of this rich class of materials. At present, methods to provide reliable and reproducible contacts to MOF materials are scarce; therefore, we have carried out a detailed, multi-technique investigation of an empty and loaded prototype MOF, HKUST-1. Epitaxial thin films of this material grown on a substrate by using liquid-phase epitaxy have been studied by cyclic voltammetry, atomic force microscopy, and quartz crystal microbalance and their quality assessed. By using an ionic liquid as the electrolyte, it is shown that redox-active molecules like ferrocene can be embedded in the pores, enabling a change in the overall conductivity of the framework and the study of the redox chemistry of guest molecules inside the MOF. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  • High Temperature Ferromagnetism in a GdAg2 Monolayer

    Ormaza M., Fernández L., Ilyn M., Magana A., Xu B., Verstraete M.J., Gastaldo M., Valbuena M.A., Gargiani P., Mugarza A., Ayuela A., Vitali L., Blanco-Rey M., Schiller F., Ortega J.E. Nano Letters; 16 (7): 4230 - 4235. 2016. 10.1021/acs.nanolett.6b01197. IF: 13.779

    Materials that exhibit ferromagnetism, interfacial stability, and tunability are highly desired for the realization of emerging magnetoelectronic phenomena in heterostructures. Here we present the GdAg2 monolayer alloy, which possesses all such qualities. By combining X-ray absorption, Kerr effect, and angle-resolved photoemission with ab initio calculations, we have investigated the ferromagnetic nature of this class of Gd-based alloys. The Curie temperature can increase from 19 K in GdAu2 to a remarkably high 85 K in GdAg2. We find that the exchange coupling between Gd atoms is barely affected by their full coordination with noble metal atoms, and instead, magnetic coupling is effectively mediated by noble metal-Gd hybrid s,p-d bands. The direct comparison between isostructural GdAu2 and GdAg2 monolayers explains how the higher degree of surface confinement and electron occupation of such hybrid s,p-d bands promote the high Curie temperature in the latter. Finally, the chemical composition and structural robustness of the GdAg2 alloy has been demonstrated by interfacing them with organic semiconductors or magnetic nanodots. These results encourage systematic investigations of rare-earth/noble metal surface alloys and interfaces, in order to exploit them in magnetoelectronic applications. © 2016 American Chemical Society.

  • Manipulating the Topological Interface by Molecular Adsorbates: Adsorption of Co-Phthalocyanine on Bi2Se3

    Caputo M., Panighel M., Lisi S., Khalil L., Santo G.D., Papalazarou E., Hruban A., Konczykowski M., Krusin-Elbaum L., Aliev Z.S., Babanly M.B., Otrokov M.M., Politano A., Chulkov E.V., Arnau A., Marinova V., Das P.K., Fujii J., Vobornik I., Perfetti L., Mugarza A., Goldoni A., Marsi M. Nano Letters; 16 (6): 3409 - 3414. 2016. 10.1021/acs.nanolett.5b02635. IF: 13.779

    Topological insulators are a promising class of materials for applications in the field of spintronics. New perspectives in this field can arise from interfacing metal-organic molecules with the topological insulator spin-momentum locked surface states, which can be perturbed enhancing or suppressing spintronics-relevant properties such as spin coherence. Here we show results from an angle-resolved photemission spectroscopy (ARPES) and scanning tunnelling microscopy (STM) study of the prototypical cobalt phthalocyanine (CoPc)/Bi2Se3 interface. We demonstrate that that the hybrid interface can act on the topological protection of the surface and bury the Dirac cone below the first quintuple layer. © 2016 American Chemical Society.

  • Microfluidic pneumatic cages: A novel approach for in-chip crystal trapping, manipulation and controlled chemical treatment

    Abrishamkar A., Paradinas M., Bailo E., Rodriguez-Trujillo R., Pfattner R., Rossi R.M., Ocal C., Demello A.J., Amabilino D.B., Puigmartí-Luis J. Journal of Visualized Experiments; 2016 (113, e54193) 2016. 10.3791/54193. IF: 1.113

    The precise localization and controlled chemical treatment of structures on a surface are significant challenges for common laboratory technologies. Herein, we introduce a microfluidic-based technology, employing a double-layer microfluidic device, which can trap and localize in situ and ex situ synthesized structures on microfluidic channel surfaces. Crucially, we show how such a device can be used to conduct controlled chemical reactions onto on-chip trapped structures and we demonstrate how the synthetic pathway of a crystalline molecular material and its positioning inside a microfluidic channel can be precisely modified with this technology. This approach provides new opportunities for the controlled assembly of structures on surface and for their subsequent treatment. © 2016 Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported License.

  • Misfit Dislocation Guided Topographic and Conduction Patterning in Complex Oxide Epitaxial Thin Films

    Sandiumenge F., Bagués N., Santiso J., Paradinas M., Pomar A., Konstantinovic Z., Ocal C., Balcells L., Casanove M.-J., Martínez B. Advanced Materials Interfaces; 3 (14, 1600106) 2016. 10.1002/admi.201600106. IF: 3.365

    Interfacial dissimilarity has emerged in recent years as the cornerstone of emergent interfacial phenomena, while enabling the control of electrical transport and magnetic behavior of complex oxide epitaxial films. As a step further toward the lateral miniaturization of functional nanostructures, this work uncovers the role of misfit dislocations in creating periodic surface strain patterns that can be efficiently used to control the spatial modulation of mass transport phenomena and bandwidth-dependent properties on a ≈20 nm length scale. The spontaneous formation of surface strain-relief patterns in La0.7Sr0.3MnO3/LaAlO3 films results in lateral periodic modulations of the surface chemical potential and tetragonal distortion, controlling the spatial distribution of preferential nucleation sites and the bandwidth of the epilayer, respectively. These results provide insights into the spontaneous formation of strain-driven ordered surface patterns, topographic and functional, during the growth of complex oxide heterostructures on lengths scales far below the limits achievable through top-down approaches. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

  • Superparamagnetism-induced mesoscopic electron focusing in topological insulators

    Sessi P., Rüßmann P., Bathon T., Barla A., Kokh K.A., Tereshchenko O.E., Fauth K., Mahatha S.K., Valbuena M.A., Godey S., Glott F., Mugarza A., Gargiani P., Valvidares M., Long N.H., Carbone C., Mavropoulos P., Blügel S., Bode M. Physical Review B; 94 (7, 075137) 2016. 10.1103/PhysRevB.94.075137.

    Recently it has been shown that surface magnetic doping of topological insulators induces backscattering of Dirac states which are usually protected by time-reversal symmetry [Sessi, Nat. Commun. 5, 5349 (2014)10.1038/ncomms6349]. Here we report on quasiparticle interference measurements where, by improved Fermi level tuning, strongly focused interference patterns on surface Mn-doped Bi2Te3 could be directly observed by means of scanning tunneling microscopy at 4 K. Ab initio and model calculations reveal that their mesoscopic coherence relies on two prerequisites: (i) a hexagonal Fermi surface with large parallel segments (nesting) and (ii) magnetic dopants which couple to a high-spin state. Indeed, x-ray magnetic circular dichroism shows superparamagnetism even at very dilute Mn concentrations. Our findings provide evidence of strongly anisotropic Dirac-fermion-mediated interactions and demonstrate how spin information can be transmitted over long distances, allowing the design of experiments and devices based on coherent quantum effects in topological insulators. © 2016 American Physical Society.


  • Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy

    Stetsovych O., Todorovi A.M., Shimizu T.K., Moreno C., Ryan J.W., León C.P., Sagisaka K., Palomares E., Matolín V., Fujita D., Perez R., Custance O. Nature Communications; 6 ( 7265) 2015. 10.1038/ncomms8265. IF: 11.470

    Anatase is a pivotal material in devices for energy-harvesting applications and catalysis. Methods for the accurate characterization of this reducible oxide at the atomic scale are critical in the exploration of outstanding properties for technological developments. Here we combine atomic force microscopy (AFM) and scanning tunnelling microscopy (STM), supported by first-principles calculations, for the simultaneous imaging and unambiguous identification of atomic species at the (101) anatase surface. We demonstrate that dynamic AFM-STM operation allows atomic resolution imaging within the materiala € s band gap. Based on key distinguishing features extracted from calculations and experiments, we identify candidates for the most common surface defects. Our results pave the way for the understanding of surface processes, like adsorption of metal dopants and photoactive molecules, that are fundamental for the catalytic and photovoltaic applications of anatase, and demonstrate the potential of dynamic AFM-STM for the characterization of wide band gap materials. © 2015 Macmillan Publishers Limited. All rights reserved.

  • Enhanced conduction and ferromagnetic order at (100)-type twin walls in L a0.7 S r0.3Mn O3 thin films

    Balcells L., Paradinas M., Baguès N., Domingo N., Moreno R., Galceran R., Walls M., Santiso J., Konstantinovic Z., Pomar A., Casanove M.-J., Ocal C., Martínez B., Sandiumenge F. Physical Review B - Condensed Matter and Materials Physics; 92 (7, 075111) 2015. 10.1103/PhysRevB.92.075111. IF: 3.736

    There is increasing evidence supporting the strong potential of twin walls in ferroic materials as distinct, spatially tunable, functional elements in future electronic devices. Here, we report an increase of about one order of magnitude in conductivity and more robust magnetic interactions at (100)-type twin walls in La0.7Sr0.3MnO3 thin films. The nature and microscopic origin of such distinctive behavior is investigated by combining conductive, magnetic, and force modulation scanning force microscopies with transmission electron microscopy techniques. Our analyses indicate that the observed behavior is due to a severe compressive strained state within an ∼1nm slab of material centered at the twin walls, promoting stronger Mn 3d-O2p orbital overlapping leading to a broader bandwidth and enhanced magnetic interactions. © 2015 American Physical Society.

  • Exchange bias of TbPc2 molecular magnets on antiferromagnetic FeMn and ferromagnetic Fe films

    Nistor C., Krull C., Mugarza A., Stepanow S., Stamm C., Soares M., Klyatskaya S., Ruben M., Gambardella P. Physical Review B - Condensed Matter and Materials Physics; 92 (18, 184402) 2015. 10.1103/PhysRevB.92.184402. IF: 3.736

    Improving the magnetic stability of single-molecule magnets is a key challenge facing molecular spintronics. We use x-ray magnetic circular dichroism to explore the possibility of magnetically stabilizing TbPc2 molecules by attaching them to ultrathin Fe and FeMn films. We show that TbPc2 deposited on antiferromagnetic FeMn films exhibits magnetic hysteresis and exchange bias as a consequence of coupling to the uncompensated interfacial Fe spins. The FeMn-thickness dependence of the coercive field and exchange bias of TbPc2 is similar to that of inorganic ferromagnetic/antiferromagnetic systems. The magnetic remanence is comparable with the fraction of molecules attached to pinned interfacial Fe spins. The Tb magnetic moments are antiferromagnetically coupled to the Fe thin films as well as to the uncompensated Fe spins at the FeMn interface. The sign of the coupling changes from antiferromagnetic to ferromagnetic after doping the interface with electron-donor Li atoms. ©2015 American Physical Society.

  • Giant reversible nanoscale piezoresistance at room temperature in Sr2IrO4 thin films

    Domingo N., López-Mir L., Paradinas M., Holy V., Železný J., Yi D., Suresha S.J., Liu J., Rayan Serrao C., Ramesh R., Ocal C., Martí X., Catalan G. Nanoscale; 7 (8): 3453 - 3459. 2015. 10.1039/c4nr06954d. IF: 7.394

    Layered iridates have been the subject of intense scrutiny on account of their unusually strong spin-orbit coupling, which opens up a narrow bandgap in a material that would otherwise be a metal. This insulating state is very sensitive to external perturbations. Here, we show that vertical compression at the nanoscale, delivered using the tip of a standard scanning probe microscope, is capable of inducing a five orders of magnitude change in the room temperature resistivity of Sr2IrO4. The extreme sensitivity of the electronic structure to anisotropic deformations opens up a new angle of interest on this material, with the giant and fully reversible perpendicular piezoresistance rendering iridates as promising materials for room temperature piezotronic devices. This journal is © The Royal Society of Chemistry.

  • Spin-flip and element-sensitive electron scattering in the BiAg2 surface alloy

    Schirone S., Krasovskii E.E., Bihlmayer G., Piquerel R., Gambardella P., Mugarza A. Physical Review Letters; 114 (16, 166801) 2015. 10.1103/PhysRevLett.114.166801. IF: 7.512

    Heavy metal surface alloys represent model systems to study the correlation between electron scattering, spin-orbit interaction, and atomic structure. Here, we investigate the electron scattering from the atomic steps of monolayer BiAg2 on Ag(111) using quasiparticle interference measurements and density functional theory. We find that intraband transitions between states of opposite spin projection can occur via a spin-flip backward scattering mechanism driven by the spin-orbit interaction. The spin-flip scattering amplitude depends on the chemical composition of the steps, leading to total confinement for pure Bi step edges, and considerable leakage for mixed Bi-Ag step edges. Additionally, the different localization of the occupied and unoccupied surface bands at Ag and Bi sites leads to a spatial shift of the scattering potential barrier at pure Bi step edges. © 2015 American Physical Society.

  • Substrate-induced stabilization and reconstruction of zigzag edges in graphene nanoislands on Ni(111)

    Garcia-Lekue A., Olle M., Sanchez-Portal D., Palacios J.J., Mugarza A., Ceballos G., Gambardella P. Journal of Physical Chemistry C; 119 (8): 4072 - 4078. 2015. 10.1021/jp511069y. IF: 4.772

    We combine experimental observations by scanning tunneling microscopy (STM) and density functional theory (DFT) to reveal the most stable edge structures of graphene on Ni(111) as well as the role of stacking-driven activation and suppression of edge reconstruction. Depending on the position of the outermost carbon atoms relative to hollow and on-top Ni sites, zigzag edges have very different energies. Triangular graphene nanoislands are exclusively bound by the more stable zigzag hollow edges. In hexagonal nanoislands, which are constrained by geometry to alternate zigzag hollow and zigzag top edges along their perimeter, only the hollow edge is stable, whereas the top edges spontaneously reconstruct into the (57) pentagon-heptagon structure. Atomically resolved STM images are consistent with either top-fcc or top-hcp epitaxial stacking of graphene and Ni sites, with the former being favored by DFT. Finally, we find that there is a one-to-one relationship between the edge type, graphene stacking, and orientation of the graphene islands. © 2015 American Chemical Society.


  • Coupling of single, double, and triple-decker metal-phthalocyanine complexes to ferromagnetic and antiferromagnetic substrates

    Lodi Rizzini, A.; Krull, C.; Mugarza, A.; Balashov, T.; Nistor, C.; Piquerel, R.; Klyatskaya, S.; Ruben, M.; Sheverdyaeva, P.M.; Moras, P.; Carbone, C.; Stamm, C.; Miedema, P.S.; Thakur, P.K.; Sessi, V.; Soares, M.; Yakhou-Harris, F.; Cezar, J.C.; Stepanow, S.; Gambardella, P. Surface Science; 630: 361 - 374. 2014. 10.1016/j.susc.2014.07.008. IF: 1.870

  • Fieldlike and antidamping spin-orbit torques in as-grown and annealed Ta/CoFeB/MgO layers

    Avci, C.O.; Garello, K.; Nistor, C.; Godey, S.; Ballesteros, B.; Mugarza, A.; Barla, A.; Valvidares, M.; Pellegrin, E.; Ghosh, A.; Miron, I.M.; Boulle, O.; Auffret, S.; Gaudin, G.; Gambardella, P. Physical Review B - Condensed Matter and Materials Physics; 89: 21 - 214419. 2014. 10.1103/PhysRevB.89.214419. IF: 3.664

  • Influence of the relative molecular orientation on interfacial charge-transfer Excitons at donor/acceptor Nanoscale heterojunctions

    Aghamohammadi, M.; Fernández, A.; Schmidt, M.; Pérez-Rodríguez, A.; Goñi, A.R.; Fraxedas, J.; Sauthier, G.; Paradinas, M.; Ocal, C.; Barrena, E. Journal of Physical Chemistry C; 118 (27): 14833 - 14839. 2014. 10.1021/jp5041579. IF: 4.835

  • Metallic thin films on stepped surfaces: lateral scattering of quantum well states

    Schiller, F. ; Abd El-Fattah, Z. M.; Schirone, S. ; Lobo-Checa, J. ; Urdanpilleta, M. ; Ruiz-Osés, M.; Cordón, J.; Corso, M.; Sanchez-Portal, D.; Mugarza, A. ; Ortega, J. E. New Journal of Physics; 16: 123025. 2014. 10.1088/1367-2630/16/12/12302. IF: 3.671

  • Spin tuning of electron-doped metal-phthalocyanine layers

    Stepanow, S.; Lodi Rizzini, A.; Krull, C.; Kavich, J.; Cezar, J.C.; Yakhou-Harris, F.; Sheverdyaeva, P.M.; Moras, P.; Carbone, C.; Ceballos, G.; Mugarza, A.; Gambardella, P. Journal of the American Chemical Society; 136 (14): 5451 - 5459. 2014. 10.1021/ja501204q. IF: 11.444

  • Spin-dependent electron scattering at graphene edges on Ni(111)

    Garcia-Lekue, A.; Balashov, T.; Olle, M.; Ceballos, G.; Arnau, A.; Gambardella, P.; Sanchez-Portal, D.; Mugarza, A. Physical Review Letters; 2014. 10.1103/PhysRevLett.112.066802. IF: 7.728

  • Structure and magnetism of Tm atoms and monolayers on W(110)

    Nistor, C.; Mugarza, A.; Stepanow, S.; Gambardella, P.; Kummer, K.; Diez-Ferrer, J.L.; Coffey, D.; de la Fuente, C.; Ciria, M.; Arnaudas, J.I. Physical Review B - Condensed Matter and Materials Physics; 2014. 10.1103/PhysRevB.90.064423. IF: 3.664


  • Scattering of surface electrons by isolated steps versus periodic step arrays

    Ortega, J.E.; Lobo-Checa, J.; Peschel, G.; Schirone, S.; Abd El-Fattah, Z.M.; Matena, M.; Schiller, F.; Borghetti, P.; Gambardella, P.; Mugarza, A. Physical Review B - Condensed Matter and Materials Physics; 87 2013. 10.1103/PhysRevB.87.115425. IF: 3.767

  • Site- and orbital-dependent charge donation and spin manipulation in electron-doped metal phthalocyanines

    Krull, C.; Robles, R.; Mugarza, A.; Gambardella, P. Nature Materials; 12: 337 - 343. 2013. 10.1038/nmat3547. IF: 35.749

  • Symmetry and magnitude of spin-orbit torques in ferromagnetic heterostructures

    Garello, K.; Miron, I.M.; Avci, C.O.; Freimuth, F.; Mokrousov, Y.; Blügel, S.; Auffret, S.; Boulle, O.; Gaudin, G.; Gambardella, P. Nature Nanotechnology; 8 (8): 587 - 593-593. 2013. 10.1038/nnano.2013.145. IF: 31.170


  • Effect of surface reconstruction on the photoemission cross-section of the Au(111) surface state

    Borghetti, P.; Lobo-Checa, J.; Goiri, E.; Mugarza, A.; Schiller, F.; Enrique Ortega, J.; Krasovskii, E.E. Journal of Physics Condensed Matter; 24 2012. 10.1088/0953-8984/24/39/395006.

  • Electronic and magnetic properties of molecule-metal interfaces: Transition-metal phthalocyanines adsorbed on Ag(100)

    Mugarza, A.; Robles, R.; Krull, C.; Korytár, R.; Lorente, N.; Gambardella, P. Physical Review B - Condensed Matter and Materials Physics; 85 2012. 10.1103/PhysRevB.85.155437.

  • Exchange biasing single molecule magnets: coupling of TbPc2 to antiferromagnetic layers

    A. Lodi Rizzini; C. Krull; T. Balashov; A. Mugarza; C. Nistor; F. Yakhou; V. Sessi; S. Klyatskaya; M. Ruben; S. Stepanow; P. Gambardella Nano Letters; 12: 5703. 2012.

  • Magnetization switching of an MgO/Co/Pt layer by in-plane current injection

    C. Onur Avci; K. Garello; I.M. Miron; G. Gaudin; S. Auffret; O. Boulle; P. Gambardella Applied Physics Letters; 100: 212404. 2012. .


  • Coupling Single Molecule Magnets to Ferromagnetic Substrates

    Lodi Rizzini, A. ; Krull, C. ; Balashov, T.; Kavich, J. J.; Mugarza, A.; Miedema, P. S.; Thakur, P. K.; Sessi, V.; Klyatskaya, S.; Ruben, M. ; Stepanow, S. ; Gambardella, P. Physical Review Letters; 2011. .

  • Determination of the photoelectron reference plane in nanostructured surfaces

    Lobo-Checa, J.; Mugarza, A.; Ortega, J.E.; Michel, E.G. New Journal of Physics; 13 2011. 10.1088/1367-2630/13/10/103013.

  • Localization, splitting, and mixing of field emission resonances induced by alkali metal clusters on Cu(100)

    Stepanow, S.; Mugarza, A.; Ceballos, G.; Gambardella, P.; Aldazabal, I.; Borisov, A.G.; Arnau, A. Physical Review B - Condensed Matter and Materials Physics; 83 2011. 10.1103/PhysRevB.83.115101.

  • Mixed-valence behavior and strong correlation effects of metal phthalocyanines adsorbed on metals

    Stepanow, S.; Miedema, P. S.; Mugarza, A.; Ceballos, G. ; Moras, P. ; Cezar, J. C.; Carbone, C. ; de Groot, F. M. F.; Gambardella, P. Physical Review B; 2011. .

  • Self-Assembled Nanometer-Scale Magnetic Networks on Surfaces: Fundamental Interactions and Functional Properties

    Carbone, C.; Gardonio, S.; Moras, P.; Lounis, S.; Heide, M.; Bihlmayer, G.; Atodiresei, N.; Heinz Dederichs, P.; Blügel, S.; Vlaic, S.; Lehnert, A.; Ouazi, S.; Rusponi, S.; Brune, H.; Honolka, J.; Enders, A.; Kern, K.; Stepanow, S.; Krull, C.; Balashov, T.; Mugarza, A.; Gambardella, P. Advanced Functional Materials; 2011. .

  • Spin coupling and relaxation inside molecule-metal contacts.

    Mugarza, A.; Krull, C.; Robles, R.; Stepanow, S.; Ceballos, G.; Gambardella, P. Nature Communications; 2 2011. 10.1038/ncomms1497.


  • Correlated electrons step by step: Itinerant-to-localized transition of fe impurities in free-electron metal hosts

    Carbone, C.; Veronese, M.; Moras, P.; Gardonio, S.; Grazioli, C.; Zhou, P.H.; Rader, O.; Varykhalov, A.; Krull, C.; Balashov, T.; Mugarza, A.; Gambardella, P.; Lebèque, S.; Eriksson, O.; Katsnelson, M.I.; Lichtenstein, A.I. Physical Review Letters; 104 2010. 10.1103/PhysRevLett.104.117601.

  • Effect of crystalline disorder on quantum tunneling in the single-molecule magnet Mn12 benzoate

    Carbonera, C.; Luis, F.; Campo, J.; Sánchez-Marcos, J.; Camón, A.; Chaboy, J.; Ruiz-Molina, D.; Imaz, I.; Van Slageren, J.; Dengler, S.; González, M. Physical Review B - Condensed Matter and Materials Physics; 81: 014427-1 - 014427-10. 2010. 10.1103/PhysRevB.81.014427.

  • Giant spin and orbital moment anisotropies of a Cu-phthalocyanine monolayer

    Stepanow, S.; Mugarza, A.; Ceballos, G.; Moras, P.; Cezar, J.C.; Carbone, C.; Gambardella, P. Physical Review B - Condensed Matter and Materials Physics; 82 2010. 10.1103/PhysRevB.82.014405.

  • Orbital specific chirality and homochiral self-assembly of achiral molecules induced by charge transfer and spontaneous symmetry breaking

    Mugarza A., Lorente N., Ordejón P., Krull C., Stepanow S., Bocquet M.-L., Fraxedas J., Ceballos G., Gambardella P. Physical Review Letters; 105 (11, 115702) 2010. 10.1103/PhysRevLett.105.115702.

    We study the electronic mechanisms underlying the induction and propagation of chirality in achiral molecules deposited on surfaces. Combined scanning tunneling microscopy and ab initio electronic structure calculations of Cu-phthalocyanines adsorbed on Ag(100) reveal the formation of chiral molecular orbitals in structurally undistorted molecules. This effect shows that chirality can be manifest exclusively at the electronic level due to asymmetric charge transfer between molecules and substrate. Single molecule chirality correlates with attractive van der Waals interactions, leading to the propagation of chirality at the supramolecular level. Ostwald ripening provides an efficient pathway for complete symmetry breaking and self-assembly of homochiral supramolecular layers. © 2010 The American Physical Society.


  • Direct evidence of imprinted vortex states in the antiferromagnet of exchange biased microdisks

    Salazar-Alvarez, G.; Kavich, J.J.; Sort, J.; Mugarza, A.; Stepanow, S.; Potenza, A.; Marchetto, H.; Dhesi, S.S.; Baltz, V.; Dieny, B.; Weber, A.; Heyderman, L.J.; Nogués, J.; Gambardella, P. Applied Physics Letters; 95 2009. 10.1063/1.3168515.

  • La ciencia de superficies: aplicación al estudio de la adsorción del agua

    Mugarza, A.; Herranz, T.; Salmeron, M. Revista Española de Física; 23: 17. 2009. .

  • Water growth on metal and oxids: binding, dissociation and the role of hydroxyl groups

    Salmeron, M.; Bluhm, H.; Tatarkhanov, M.; Kettler, G.; Shimizu, T.K.; Mugarza, A.; Deng, X.; Herranz, T. Faraday Discussions; 141: 221 - 229. 2009. 10.1039/B806516K.


  • Adsorption of water on O(2×2)/Ru(0001): Thermal stability and inhibition of dissociation

    Mugarza, A.; Shimizu, T.K.; Cabrera-Sanfelix, P.; Sánchez-Portal, D.; Arnau, A.; Salmeron, M. Journal of Physical Chemistry C; 112: 14052 - 14057. 2008. 10.1021/jp8026622.

  • Structure and reactions of carbon and hydrogen on Ru(0001): A scanning tunneling microscopy study

    Shimizu, T.K.; Mugarza, A.; Cerdá, J.I.; Salmeron, M. Journal of Chemical Physics; 129 2008. 10.1063/1.2991434.

  • Surface species formed by the adsorption and dissociation of water molecules on a Ru(0001) surface containing a small coverage of carbon atoms studied by scanning tunneling microscopy

    Shimizu, T.K.; Mugarza, A.; Cerdá, J.I.; Heyde, M.; Qi, Y.; Schwarz, U.D.; Ogletree, D.F.; Salmeron, M. Journal of Physical Chemistry C; 112: 7445 - 7454. 2008. 10.1021/jp711097j.

  • Water growth on metals and oxides: Binding, dissociation and role of hydroxyl groups

    Salmeron, M.; Bluhm, H.; Tatarkhanov, M.; Ketteler, G.; Shimizu, T.K.; Mugarza, A.; Deng, X.; Herranz, T.; Yamamoto, S.; Nilsson, A. Faraday Discussions; 141: 221 - 229. 2008. 10.1039/b806516k.

  • Water on surfaces studied by Scanning Probe Microscopies

    A.Verdaguer; A. Mugarza; J. Fraxedas Contributions to Science; 4: 141 - 155. 2008. .