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1openAccessLeGal_JACS_2018_postprint.pdf.jpg6-jun-2018Stable Metallic State of a Neutral-Radical Single-Component Conductor at Ambient PressureLe Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Bellec, Nathalie; Íñiguez, Jorge CSIC ORCID; Canadell, Enric CSIC ORCID; Lorcy, Dominiqueartículo
2openAccessAfull0001.pdf.jpg22-ene-2015A full-configuration-interaction nuclear orbital approach and application for doped He clustersLara Castells, María Pilar de CSIC ORCID ; Aguirre, Néstor F. CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Mitrushchenkov, Alexander O.artículo
3openAccessrrl_qring.pdf.jpgene-2019Wave-Function Topology Effects on Charged Excitons in Type-II InAs/GaAsSb Quantum Dots and RingsLlorens Montolio, José Manuel CSIC ORCID; Alén, Benito CSIC ORCIDartículo
4closedAccess2002Soft x-ray absorption spectroscopy study of oxide layers on titanium alloysLópez, María Francisca CSIC ORCID ; Soriano, L.; Palomares, F. Javier CSIC ORCID; Sánchez Agudo, M.; Fuentes, G. G.; Gutiérrez, A.; Jiménez, José Antonio CSIC ORCID artículo
5openAccessBiTeI surfaces.pdf.jpg2014Defect and structural imperfection effects on the electronic properties of BiTeI surfacesFiedler, Sebastian; El-Kareh, Lydia; Eremeev, Sergey V.; Tereshchenko, Oleg E.; Kokh, Konstantin A.; Chulkov, Eugene V. CSIC ORCID; Kuznetsova, Tatyana V.; Bentmann, Hendrik; Bode, Matthias; Reinert, Friedrichartículo
6openAccessOrbital_occupancy_n_hybridization_in_strained_SrVO3.pdf.jpg9-sep-2021Orbital occupancy and hybridization in strained SrV O3 epitaxial filmsMirjolet, Mathieu; Vasili, Hari Babu; Valadkhani, Adrian; Santiso, José CSIC ORCID; Borisov, Vladislav; Gargiani, Pierluigi; Valvidares, Manuel; Valentí, Roser; Fontcuberta, Josep CSIC ORCIDartículo
7closedAccess21-abr-2006Optical, Redox, and NLO Properties of Tricyanovinyl Oligothiophenes: Comparisons between Symmetric and Asymmetric Substitution PatternsCasado, Juan; Ruiz Delgado, M. Carmen; Rey Merchán, M. Carmen; Hernández, Víctor; López Navarrete, Juan T.; Pappenfus, Ted M.; Williams, Nathaniel; Stegner, William J.; Johnson, Jared C.; Edlund, Brett A.; Janzen, Daron E.; Mann, Kent R.; Orduna, Jesús CSIC ORCID ; Villacampa, Belén CSIC ORCIDartículo
8openAccessevidePbIr.pdf.jpg2018Evidence of large spin-orbit coupling effects in quasi-free-standing graphene on Pb/Ir(111)Otrokov, M. M. CSIC ORCID; Klimovskikh, Ilya I.; Calleja, Fabián; Shikin, Alexander M.; Vilkov, Oleg Yu.; Rybkin, Artem G.; Estyunin, D.; Muff, Stefan; Dil, J. Hugo; Vázquez de Parga, A. L.; Miranda, Rodolfo CSIC ORCID; Ochoa, Héctor; Guinea, F. CSIC ORCID; Cerdá, Jorge I. ; Chulkov, Eugene V. CSIC ORCID; Arnau, Andrés CSIC ORCIDartículo
9openAccessEstandia_PhysRevMat_2021_editorial.pdf.jpg28-jul-2021Insights into the atomic structure of the interface of ferroelectric Hf 0.5Zr0.5O2 grown epitaxially on La2/3Sr1/3MnO3Estandía, Saúl; Cao, Tengfei; Mishra, Rohan; Fina, Ignasi CSIC ORCID CVN ; Sánchez Barrera, Florencio CSIC ORCID; Gázquez, Jaume CSIC ORCIDartículo
10closedAccessaccesoRestringido.pdf.jpg2013Electronic structure of SnSb2Te4 and PbSb2Te4 topological insulatorsMenshchikova, Tatiana V.; Eremeev, Sergey V.; Chulkov, Eugene V. CSIC ORCIDartículo
11closedAccessaccesoRestringido.pdf.jpg2017Raman spectroscopy of lattice-matched graphene on strongly interacting metal surfacesUsachov, Dmitry Yu.; Davydov, Valery Yu.; Levitskii, Vladimir S.; Shevelev, Viktor O.; Marchenko, Dmitry; Senkovskiy, Boris V.; Vilkov, Oleg Yu.; Rybkin, Artem G.; Yashina, Lada V.; Chulkov, Eugene V. CSIC ORCID; Sklyadneva, Irina Yu.; Heid, Rolf; Bohnen, Klaus-Peter; Laubschat, Clemens; Vyalikh, Denis V. CSIC ORCIDartículo
12closedAccessaccesoRestringido.pdf.jpg2018Magneto-spin−orbit graphene: Interplay between exchange and spin−orbit couplingsRybkin, Artem G.; Rybkina, Anna A.; Otrokov, M. M. CSIC ORCID; Vilkov, Oleg Yu.; Klimovskikh, Ilya I.; Petukhov, Anatoly E.; Filianina, Maria V.; Voroshnin, Vladimir Yu.; Rusinov, Igor P.; Ernst, Arthur; Arnau, Andrés CSIC ORCID; Chulkov, Eugene V. CSIC ORCID; Shikin, Alexander M.artículo
13openAccessrelevaelectro.pdf.jpg2020Relevance of the quadratic diamagnetic and self-polarization terms in cavity quantum electrodynamicsSchäfer, Christian; Ruggenthaler, Michael; Rokaj, Vasil; Rubio, Angel CSIC ORCIDartículo
14closedAccessaccesoRestringido.pdf.jpg2019Visualizing the Effect of an Electrostatic Gate with Angle-Resolved Photoemission SpectroscopyJoucken, F.; Avila, J.; Ge, Z.; Quezada-Lopez, E.A.; Yi, H.; Le Goff, R.; Baudin, E.; Davenport, J.L.; Watanabe, K.; Taniguchi, T.; Asensio, María C. CSIC ORCID; Velasco, J.artículo
15openAccessversion wannier90.pdf.jpg2014An updated version of wannier90: A tool for obtaining maximally-localised Wannier functionsMostofi, Arash A.; Yates, Jonathan R.; Souza, Ivo CSIC ORCID; Marzari, Nicolaartículo
16openAccesssuperlattinsulat.pdf.jpg2023Superlattices of gadolinium and bismuth based thallium dichalcogenides as potential magnetic topological insulatorsVyazovskaya, Alexandra Yu.; Petrov, Evgeniy K.; Koroteev, Yuri M.; Bosnar, Mihovil; Silkin, Igor V.; Chulkov, Eugene V. CSIC ORCID; Otrokov, M. M. CSIC ORCIDartículo
17closedAccessaccesoRestringido.pdf.jpg2013Bulk and surface electronic structure of SnBi4Te7 topological insulatorVergniory, Maia G. CSIC ORCID; Menshchikova, Tatiana V.; Eremeev, Sergey V.; Chulkov, Eugene V. CSIC ORCIDartículo
18closedAccess27-abr-2007Solid-State Structures and Solution Studies of Novel Cyclopentadienyl Mercury CompoundsGrirrane, Abdessamad; Resa, Irene CSIC; Río, Diego del; Rodríguez, Amor CSIC ORCID; Álvarez, Eleuterio CSIC ORCID ; Mereiter, Kurt; Carmona, Ernesto CSIC ORCIDartículo
19openAccessoctopus a first principles.pdf.jpgmar-2003octopus: a first-principles tool for excited electron–ion dynamicsMarques, Miguel A. L.; Castro, Alberto; Bertsch, George F.; Rubio, Angel CSIC ORCIDartículo
20openAccessElectronic_potential.pdf.jpg13-ago-2008Electronic potential of a chemisorption interfaceZhao, Jin; Pontius, Niko; Winkelmann, Aimo; Sametoglu, Vahit; Kubo, Atsushi; Borisov, Andrei G. CSIC; Sánchez-Portal, Daniel CSIC ORCID ; Silkin, Viatcheslav M. CSIC ORCID; Chulkov, Eugene V. CSIC ORCID; Echenique, Pedro M. CSIC ORCID; Petek, Hrvojeartículo
21closedAccessaccesoRestringido.pdf.jpg2015Observation of single-spin Dirac fermions at the graphene/ferromagnet interfaceUsachov, Dmitry Yu.; Otrokov, M. M. CSIC ORCID; Rybkin, Artem G.; Koroteev, Yuri M.; Chulkov, Eugene V. CSIC ORCID; Grüneis, Alexander; Vyalikh, Denis V. CSIC ORCIDartículo
22closedAccessaccesoRestringido.pdf.jpg3-dic-2013Reducible cerium oxide defect structure and catalytic function: the role of electron localizationGanduglia-Pirovano, M. V. CSIC ORCIDcomunicación de congreso
23closedAccessaccesoRestringido.pdf.jpg15-abr-2013Adsorption of H, H2, and H2O inside and outside of (M@Si16F)6 tubelike aggregates and wires (M = V, Ta). A first principles studyCantera-López, Homero; Fernández, Eva M. CSIC ORCID; Balbás, Luis Carlos; Borstel, Gunnarartículo
24embargoedAccess30-ago-2023Identifying the role of the cationic geometric configuration in spinel catalysts for polysulfide conversion in sodium-sulfur batteriesZhang, Chao Yue; Lu, Xuan; Han, Xu CSIC ORCID; Yu, Jing; Zhang, Chaoqi; Huang, Chen; Balcells, Lluís; Garzón Manjón, Alba CSIC; Jacas Biendicho, Jordi; Li, Junshan; Arbiol, Jordi CSIC ORCID CVN; Sun, Gengzhi; Zhou, Jin Yuan; Cabot, Andreuartículo
25openAccessArtus_adpr.202000101.pdf.jpgene-2021Ellipsometry Study of Hexagonal Boron Nitride Using Synchrotron Radiation: Transparency Window in the Far‐UVCArtús, Lluís CSIC ORCID ; Feneberg, Martin; Attaccalite, Claudio; Edgar, James H.; Li, Jiahan; Goldhahn, R.; Cuscó, Ramón CSIC ORCID artículo
26openAccesszigzagmainFinal.pdf.jpg2018Electronic structure tunability by periodic meta-ligand spacing in one-dimensional organic semiconductorsPiquero-Zulaica, Ignacio CSIC ORCID; Garcia-Lekue, Aran CSIC ORCID; Colazzo, Luciano; Krug, Claudio; Mohammed, Mohammed S. G.; Abd El-Fattah, Z. M. CSIC ORCID; Gottfried, J. Michael; Oteyza, Dimas G. de CSIC ORCID; Ortega, J. Enrique CSIC ORCID; Lobo-Checa, Jorge CSIC ORCID artículo
27openAccessJian_PhysRevB_2016_editorial.pdf.jpg11-feb-2016Strain-induced nonsymmorphic symmetry breaking and removal of Dirac semimetallic nodal line in an orthoperovskite iridateJian, Liu; Frontera, Carlos CSIC ORCID; Ramesh, Ramamoorthyartículo
28openAccessMatencio_JPhysChemC_2018_postprint.pdf.jpg26-jun-2018Chiral Organization and Charge Redistribution in Chloroaluminum Phthalocyanine on Au(111) Beyond the MonolayerMatencio, Sonia CSIC; Palacios Rivera, Rogger; Martínez, José I. CSIC ORCID ; Ocal, Carmen CSIC ORCID; Barrena, Esther CSIC ORCIDartículo
29closedAccessaccesoRestringido.pdf.jpg19-nov-2013Reducible cerium oxide defect structure and catalytic function: the role of electron localizationGanduglia-Pirovano, M. V. CSIC ORCIDcomunicación de congreso
30openAccessspinPbmono.pdf.jpg2017Spin-orbit coupling induced gap in graphene on Pt(111) with intercalated Pb monolayerKlimovskikh, Ilya I.; Otrokov, M. M. CSIC ORCID; Voroshnin, Vladimir Yu.; Sostina, Daria; Petaccia, Luca; Di Santo, Giovanni; Thakur, Sangeeta; Chulkov, Eugene V. CSIC ORCID; Shikin, Alexander M.artículo
31openAccessConejeros_PhysRevB_2023_editorial.pdf.jpg26-dic-2023Insulator-to-metal transition in low-dimensional NbS3 under pressureConejeros, Sergio; Alemany, Pere; Canadell, Enric CSIC ORCIDartículo
32openAccessCalbo-ChemEurJ-2013-postprint.pdf.jpg2-dic-2013Tetrathiafulvalene-based mixed-valence acceptor-donor-acceptor triads: A joint theoretical and experimental approachCalbo, Joaquín; Aragó, Juan; Otón, Francisco CSIC; Lloveras, Vega CSIC ORCID; Mas Torrent, Marta CSIC ORCID; Vidal Gancedo, José CSIC ORCID ; Veciana, Jaume CSIC ORCID CVN; Rovira, Concepció CSIC ORCID; Ortí, Enriqueartículo
33openAccess2024Enhanced vacuum ultraviolet photoemission from graphene nanoribbonsCorso, Martina CSIC ORCID ; Lobo-Checa, Jorge CSIC ORCID ; Weber, Andrew P.; Piquero-Zulaica, Ignacio CSIC ORCID; Abd El-Fattah, Z. M. CSIC ORCID; Le Fèvre, Patrick; Ortega, J. Enrique CSIC ORCID; Krasovskii, Eugeneartículo
34openAccessQuantum nanostructures.pdf.jpg15-ene-2021Quantum nanostructures for plasmonics and high refractive index photonicsToudert, Johann CSIC ORCIDartículo de revisión
35openAccessinterlayer_spacers_synthetic_2D-based_antiferromagnets.pdf.jpg11-dic-2019Guidelines for selecting interlayer spacers in synthetic 2D-based antiferromagnets from first-principles simulationsCuadrado, Ramón CSIC ORCID; Pruneda, Miguel CSIC ORCID artículo
36openAccessverweysimula.pdf.jpg2019Morphology driven electronic band modulation in semiconductor core-shell nanowiresMartí-Sànchez, Sara CSIC ORCID; Botifoll, Marc CSIC ORCID; Oksenberg, Eitan; Joselevich, Ernesto; Arbiol, Jordi CSIC ORCID CVNcomunicación de congreso
37openAccessvalence band-2013.pdf.jpgfeb-2013Valence band electronic structure characterization of the rutile TiO2 (110)-(1 × 2) reconstructed surfaceSánchez-Sánchez, Carlos CSIC ORCID ; Garnier, M. G.; Aebi, P.; Blanco-Rey, María CSIC ORCID; Andrés, Pedro L. de CSIC ORCID CVN; Martín-Gago, José A. CSIC ORCID ; López, María Francisca CSIC ORCID artículo
38closedAccessaccesoRestringido.pdf.jpgmay-2016Structural, Vibrational, and Electronic Study of Sb2S3 at High PressureIbáñez Insa, Jordi CSIC ORCID ; Sans, Juan Ángel; Popescu, Catalin; López-Vidrier, J.; Elvira, Josep CSIC ORCID ; Cuenca-Gotor, V. P.; Gomis, Óscar; Manjón, F. J.; Rodríguez-Hernández, Pablo Rogelio; Muñoz, Alfonsoartículo
39openAccessGiant_thermoelectric_figure_of_merit_LaSO.pdf.jpg17-dic-2021Giant thermoelectric figure of merit in multivalley high-complexity-factor LaSOFarris, Roberta CSIC ORCID; Ricci, Francesco; Casu, Giulio; Dahliah, Diana; Hautier, Geoffroy; Rignanese, Gian-Marco; Fiorentini, Vincenzoartículo
40openAccessVeis_PhysRevB_2018_editorial.pdf.jpg4-dic-2017Band structure of CuMnAs probed by optical and photoemission spectroscopyVeis, M.; Minar, Jan; Steciuk, Gwladys; Palatinus, Lukáš; Rinaldi, Christian; Cantoni, M.; Kriegner, D.; Tikuisis, Kristupas K.; Hamrle, Jaroslav; Zahradnik, Martin; Antos, Roman; Zelezny, Jakub; Smejkal, Libor; Wadley, Peter; R. P. Campion; Frontera, Carlos CSIC ORCID; Uhlířová, Klára; Duchon, T.; Kuzel, P.; Novak, Vit; Jungwirth, T.; Vyborny, K.artículo
41openAccessMirjolet_PhysRevMat_2021_editorial.pdf.jpg9-sep-2021Orbital occupancy and hybridization in strained SrV O 3 epitaxial filmsMirjolet, Mathieu; Vasili, Hari Babu; Valadkhani, Adrian; Santiso, José CSIC ORCID; Borisov, Vladislav; Gargiani, Pierluigi; Valvidares, Manuel; Valenti, Roser; Fontcuberta, Josep CSIC ORCIDartículo
42closedAccessrestringido.pdf.jpgdic-2010The hydrogen bond, front and centerFalvello, Larry R. CSIC ORCIDartículo
43closedAccessaccesoRestringido.pdf.jpg2013Band structure engineering in topological insulator based heterostructuresMenshchikova, Tatiana V.; Otrokov, M. M. CSIC ORCID; Tsirkin, Stepan S. CSIC ORCID; Samorokov, D. A.; Bebneva, V. V.; Ernst, Arthur; Kuznetsov, V. M.; Chulkov, Eugene V. CSIC ORCIDartículo
44closedAccessaccesoRestringido.pdf.jpg2015Design and performance characterization of electronic structure calculations on massively parallel supercomputers: a case study of GPAW on the Blue Gene/P architectureRomero, N. A.; Larsen, Ask Hjorth CSIC ORCIDartículo
45closedAccessaccesoRestringido.pdf.jpg2009Customized electronic coupling in self-assembled donor-acceptor nanostructuresOteyza, Dimas G. de CSIC ORCID; García-Lastra, J. M.; Corso, Martina CSIC ORCID ; Doyle, Bryan P.; Floreano, Luca; Morgante, Alberto; Wakayama, Yutaka; Rubio, Angel CSIC ORCID; Ortega, J. Enrique CSIC ORCIDartículo
46embargoedAccessBorofullerenes_CTC_Revised_CLEAN_24nov2022.pdf.jpg1-feb-2023A quantum-chemical study of boro-fullerenes B60H60, B60F30H30, and B60F60Oña, Ofelia B.; Ferrer, Maxime CSIC ORCID; Alcoba, Diego R.; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E.; Klein, Douglas J.; Alkorta, Ibon CSIC ORCID; Elguero, José CSIC ORCID; Oliva, José M. CSIC ORCIDartículo
47closedAccessaccesoRestringido.pdf.jpg2018Deep insight into the electronic structure of ternary topological insulators: A comparative study of PbBi4Te7 and PbBi6Te10Pacilè, Daniela; Eremeev, Sergey V.; Caputo, Marco; Pisarra, M.; De Luca, Oreste; Grimaldi, I.; Fujii, Jun; Aliev, Ziya S.; Babanly, M. B.; Vobornik, Ivana; Agostino, Raffaele G.; Goldoni, Andrea; Chulkov, Eugene V. CSIC ORCID; Papagno, Marcoartículo
48openAccessDML.pdf.jpg1-ene-2022Classification and prediction of bulk densities of states and chemical attributes with machine learning techniquesSánchez Pérez de Amézaga, Claudio; García-Suárez, Víctor M. CSIC ORCID ; Fernández Martínez, Juan Luisartículo
49closedAccessaccesoRestringido.pdf.jpg2018Spin and electronic structure of the topological insulator Bi1.5Sb0.5Te1.8Se1.2Filianina, Maria V.; Klimovskikh, Ilya I.; Shvets, Igor A.; Rybkin, Artem G.; Petukhov, Anatoly E.; Chulkov, Eugene V. CSIC ORCID; Golyashov, V. A.; Kokh, Konstantin A.; Tereshchenko, Oleg E.; Polley, Craig; Balasubramanian, E. V.; Leandersson, M.; Shikin, Alexander M.artículo
50closedAccessene-2007The study of the ground state Kramers doublet of low-spin heminic system revisited: A comprehensive description of the EPR and Mössbauer spectraAlonso, Pablo J. CSIC ORCID; Martínez, Jesús I. CSIC ORCID; García-Rubio, Inés CSIC ORCIDartículo
Resultados 1-50 de 77.