Donostia / San Sebastian, Spain
Donostia / San Sebastian, Spain

The Donostia International Physics Center Foundation was established in 1999 in the framework of a collaboration agreement reached by the Education and Industry Departments of the Basque Government, the University of the Basque Country, the Regional Government of Gipuzkoa, the City of Donostia and the Kutxa savings bank. Iberdrola participated in the venture during 2000-2003. In 2004 Naturcorp Multiservicios joined the project, followed by Telefónica in 2005.The DIPC was born as an intellectual center aimed at fostering and providing for the development of highest level basic research in material science. Since its early days, the DIPC has been an open institution, bound to the University of the Basque Country, committed to the internationalization of all basic science engaged in the Basque Country related to physics and material science. Wikipedia.

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Cazalilla M.A.,Donostia International Physics Center | Citro R.,University of Salerno | Giamarchi T.,University of Geneva | Orignac E.,French National Center for Scientific Research | Rigol M.,Georgetown University
Reviews of Modern Physics | Year: 2011

The physics of one-dimensional interacting bosonic systems is reviewed. Beginning with results from exactly solvable models and computational approaches, the concept of bosonic Tomonaga-Luttinger liquids relevant for one-dimensional Bose fluids is introduced, and compared with Bose-Einstein condensates existing in dimensions higher than one. The effects of various perturbations on the Tomonaga-Luttinger liquid state are discussed as well as extensions to multicomponent and out of equilibrium situations. Finally, the experimental systems that can be described in terms of models of interacting bosons in one dimension are discussed. © 2011 American Physical Society.

Dogariu A.,University of Central Florida | Sukhov S.,University of Central Florida | Saenz J.,Autonomous University of Madrid | Saenz J.,Donostia International Physics Center
Nature Photonics | Year: 2013

The idea of using optical beams to attract objects has long been a dream of scientists and the public alike. Over the years, a number of proposals have attempted to bring this concept to life. Here we review the most recent progress in this emerging field, including new concepts for manipulating small objects using optically induced 'negative forces', achieved by tailoring the properties of the electromagnetic field, the environment or the particles themselves. © 2013 Macmillan Publishers Limited.

Esteban R.,Donostia International Physics Center | Borisov A.G.,University Paris - Sud | Nordlander P.,Rice University | Aizpurua J.,Donostia International Physics Center
Nature Communications | Year: 2012

Electromagnetic coupling between plasmonic resonances in metallic nanoparticles allows for engineering of the optical response and generation of strong localized near-fields. Classical electrodynamics fails to describe this coupling across sub-nanometer gaps, where quantum effects become important owing to non-local screening and the spill-out of electrons. However, full quantum simulations are not presently feasible for realistically sized systems. Here we present a novel approach, the quantum-corrected model (QCM), that incorporates quantum-mechanical effects within a classical electrodynamic framework. The QCM approach models the junction between adjacent nanoparticles by means of a local dielectric response that includes electron tunnelling and tunnelling resistivity at the gap and can be integrated within a classical electrodynamical description of large and complex structures. The QCM predicts optical properties in excellent agreement with fully quantum mechanical calculations for small interacting systems, opening a new venue for addressing quantum effects in realistic plasmonic systems. © 2012 Macmillan Publishers Limited. All rights reserved.

Grabowski Sl.J.,Donostia International Physics Center | Grabowski Sl.J.,Ikerbasque
Physical Chemistry Chemical Physics | Year: 2014

MP2/aug-cc-pVTZ calculations were carried out on complexes of ZH 4, ZFH3 and ZF4 (Z = C, Si and Ge) molecules with HCN, LiCN and Cl- species acting as Lewis bases through nitrogen centre or chlorine ion. Z-Atoms in these complexes usually act as Lewis acid centres forming σ-hole bonds with Lewis bases. Such noncovalent interactions may adopt a name of tetrel bonds since they concern the elements of the group IV. There are exceptions for complexes of CH4 and CF 4, as well as for the F4Si⋯NCH complex where the tetrel bond is not formed. The energetic and geometrical parameters of the complexes were analyzed and numerous correlations between them were found. The Quantum Theory of 'Atoms in Molecules' and Natural Bonds Orbital (NBO) method used here should deepen the understanding of the nature of the tetrel bond. An analysis of the electrostatic potential surfaces of the interacting species is performed. The electron charge redistribution, being the result of the tetrel bond formation, is the same as that of the SN2 reaction. The energetic and geometrical parameters of the complexes analyzed here correspond to different stages of the SN2 process. This journal is © 2014 the Owner Societies.

Grabowski S.J.,Donostia International Physics Center | Grabowski S.J.,Ikerbasque
Chemical Reviews | Year: 2011

Hydrogen bonding is an important interaction playing a key role in chemical, physical, and biochemical processes. The Quantum Theory of 'Atoms in Molecules' (QTAIM) is one of the approaches often applied to analyze the electron charge distribution for the hydrogen-bonded systems. The bond number connected with interatomic distance seems to be good to introduce a measure of strength for nonbonding contacts including hydrogen bonds. The bond number may be understood as the fraction of electron pair participating in the atom-atom contact, and the logarithmic relation is a consequence of the exponential character of intermolecular forces. The Natural Bond Orbital (NBO), also differ significantly from the other decomposition schemes. A measure of the hydrogen-bonding strength, named as a complex parameter, based on geometrical and topological parameters of the A-H proton-donating bond, was introduced and calculated for a sample of different hydrogen-bonded complexes.

Grabowski Sl.J.,Donostia International Physics Center | Grabowski Sl.J.,Ikerbasque
Physical Chemistry Chemical Physics | Year: 2013

Hydrogen and halogen bonds are compared on the basis of ab initio calculations performed for complexes linked through these interactions. The Quantum Theory of Atoms in Molecules (QTAIM) and the Natural Bond Orbitals (NBO) method are applied for a deeper understanding of the nature of interactions. Both interactions are ruled by the same effects of hyperconjugation and rehybridization. In general for both kinds of interactions the same processes of the electron charge redistribution being the result of complexation are observed. As a consequence similar characteristics are also observed for the hydrogen and halogen bonds for example the increase of the positive charge of the atom being in contact with the Lewis base (hydrogen and chlorine or bromine for complexes analyzed here) and the decrease of its volume as a result of the complex formation. The halogen bond is enhanced by the charge assistance, similarly to the hydrogen bond. © 2013 the Owner Societies.

Cazalilla M.A.,National Tsing Hua University | Cazalilla M.A.,Donostia International Physics Center | Rey A.M.,University of Colorado at Boulder
Reports on Progress in Physics | Year: 2014

We review recent experimental and theoretical progress on ultracold alkaline-earth Fermi gases with emergent SU(N) symmetry. Emphasis is placed on describing the ground-breaking experimental achievements of recent years. The latter include (1) the cooling to below quantum degeneracy of various isotopes of ytterbium and strontium, (2) the demonstration of optical Feshbach resonances and the optical Stern-Gerlach effect, (3) the realization of a Mott insulator of 173Yb atoms, (4) the creation of various kinds of Fermi-Bose mixtures and (5) the observation of many-body physics in optical lattice clocks. On the theory side, we survey the zoo of phases that have been predicted for both gases in a trap and loaded into an optical lattice, focusing on two and three dimensional systems. We also discuss some of the challenges that lie ahead for the realization of such phases such as reaching the temperature scale required to observe magnetic and more exotic quantum orders. The challenge of dealing with collisional relaxation of excited electronic levels is also discussed. © 2014 IOP Publishing Ltd.

The chain dynamics of unentangled polymers strongly deviates from the expected Rouse behavior when they form part of dynamically asymmetric polymer blends. These are miscible systems where the two components display very different segmental mobility (or glass transition). The generalized Langevin equation formalism seems to be a suitable theoretical framework for this situation. In this work, we have used an approximation based on (i) a simplified generalized Langevin equation and (ii) the phenomenological result of nonexponential decay of the Rouse model correlators in asymmetric polymer blends. In the framework of this approximation, we have deduced an incoherent scattering function for chain dynamics of unentangled polymers in asymmetric blends. This function - which in the Rouse limit reduces to the well-known de Gennes expression - is validated by molecular dynamics simulation results of a canonical asymmetric blend: poly(methyl methacrylate)/poly(ethylene oxide). © 2013 American Chemical Society.

Grabowski S.J.,Donostia International Physics Center | Grabowski S.J.,Ikerbasque
Chemistry - A European Journal | Year: 2013

Ab initio calculations were performed on complexes of ZH4 + (Z=N, P, As) and their fluoro derivatives, ZFH3 + and ZF4+, with a HCN (or LiCN) molecule acting as the Lewis base through the nitrogen electronegative center. It was found that the complexes are linked by the Z-H⋯N hydrogen bond or another type of noncovalent interaction in which the tetravalent heavy atom of the cation acts as the Lewis acid center, that is, when the Z⋯N link exists, which may be classified as the σ-hole bond. The formation of the latter interaction is usually preferable to the formation of the corresponding hydrogen bond. The Z⋯N interaction may be also considered as the preliminary stage of the SN2 reaction. This is supported by the observation that for a short Z⋯N contact, the corresponding complex geometry coincides with the trigonal-bipyramidal geometry typical for the transition state of the SN2 reaction. The Z⋯N interaction for some of complexes analyzed here possesses characteristics typical for covalent bonds. Numerous interrelations between geometrical, topological and energetic parameters are discussed. The natural bond orbital method as well as the Quantum Theory of "Atoms in Molecules" is applied to characterize interactions in the analyzed complexes. The experimental evidences of the existence of these interactions, based on the Cambridge Structure Database search, are also presented. In addition, it is justified that mechanisms of the formation of the Z⋯N interactions are similar to the processes occurring for the other noncovalent links. The formation of Z⋯N interaction as well as of other interactions may be explained with the use of the σ-hole concept. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Agency: European Commission | Branch: H2020 | Program: ERC-STG | Phase: ERC-StG-2014 | Award Amount: 1.89M | Year: 2015

With the advent of self-assembly, increasingly high hopes are being placed on supramolecular materials as future active components of a variety of devices. The main challenge remains the design and assembly of supramolecular structures with emerging functionalities tailored according to our needs. In this respect, the extensive research over the last decades has led to impressive progress in the self-assembly of molecular structures. However, self-assembly typically relies on non-covalent interactions, which are relatively weak and limit the structures stability and often even their functionality. Only recently the first covalently bonded organic networks were synthesized directly on substrate surfaces under ultra-high-vacuum, whose structure could be defined by appropriate design of the molecular precursors. The potential of this approach was immediately recognized and has attracted great attention. However, the field is still in its infancy, and the aim of this project is to lift this new concept to higher levels of sophistication reaching real functionality. For optimum tunability of the materials properties, its structure must be controlled to the atomic level and allow great levels of complexity and perfection. Complexity can be reached e.g. with hybrid structures combining different types of precursors. In this project, this hardly explored approach will be applied to three families of materials of utmost timeliness and relevance: graphene nanoribbons, porous frameworks, and donor-acceptor networks. Along the pursuit of these objectives, side challenges that will be addressed are the extension of our currently available chemistry-on-surfaces toolbox by identification of new reactions, optimized reaction conditions, surfaces, and ultimately their combination strategies. A battery of tools, with special emphasis on scanning probe microscopies, will be used to visualize and characterize the reactions and physical-chemical properties of the resulting materials.

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