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openAccessGuster_2DMat_2018_postrpint.pdf.jpg10-dic-20182 x 2 Charge Density Wave in single-layer TiTe2Guster, Bogdan CSIC ORCID; Robles, Roberto CSIC ORCID ; Pruneda, Miguel CSIC ORCID ; Canadell, Enric CSIC ORCID; Ordejón, Pablo CSIC ORCIDartículo
openAccessPre_time_zero_Varghese.pdf.jpgmar-2023A pre-time-zero spatiotemporal microscopy technique for the ultrasensitive determination of the thermal diffusivity of thin filmsVarghese, Sebin CSIC ORCID; Mehew, Jake D. CSIC ORCID; Block, Alexander CSIC ORCID; Saleta Reig, David CSIC ORCID; Woźniak, Pawel; Farris, Roberta CSIC ORCID; Zanolli, Zeila CSIC ORCID; Ordejón, Pablo CSIC ORCID; Verstraete, Matthieu J. CSIC ORCID; Hulst, Niek F. van; Tielrooij, Klaas-Jan CSIC ORCIDartículo
openAccesspre-time-zero_supplementary materials.pdf.jpgmar-2023A pre-time-zero spatiotemporal microscopy technique for the ultrasensitive determination of the thermal diffusivity of thin films: Supplementary MaterialsVarghese, Sebin CSIC ORCID; Mehew, Jake D. CSIC ORCID; Block, Alexander CSIC ORCID; Saleta Reig, David CSIC ORCID; Woźniak, Pawel; Farris, Roberta CSIC ORCID; Zanolli, Zeila CSIC ORCID; Ordejón, Pablo CSIC ORCID; Verstraete, Matthieu J. CSIC ORCID; Hulst, Niek F. van; Tielrooij, Klaas-Jan CSIC ORCIDdataset
openAccessAbnanotube.pdf.jpg2002Ab initio calculations of the optical properties of 4-Å-diameter single-walled nanotubesMachón, M.; Reich, Stephanie; Thomsen, C.; Sánchez-Portal, Daniel CSIC ORCID ; Ordejón, Pablo CSIC ORCIDartículo
openAccessabsilicon.pdf.jpg2002Ab initio local vibrational modes of light impurities in siliconPruneda, Miguel CSIC ORCID ; Estreicher, S. K.; Junquera, Javier; Ferrer, J.; Ordejón, Pablo CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2018Addressing the environment electrostatic effect on ballistic electron transport in large systems: A QM/MM-NEGF approachFeliciano, Gustavo Troiano; Sanz-Navarro, Carlos F. CSIC; Domingues Coutinho-Neto, Mauricio; Ordejón, Pablo CSIC ORCID; Scheicher, Ralph H.; Reily Rocha, Alexandreartículo
closedAccessaccesoRestringido.pdf.jpg2019AiidA Workflow for High-throughput computation of formation energyAkhtar, Arsalan CSIC ORCID; Ordejón, Pablo CSIC ORCID; Pruneda, Miguel CSIC ORCID póster de congreso
openAccessAn efficient implementation of a QM-MM.pdf.jpg2011An efficient implementation of a QM–MM method in SIESTASanz-Navarro, Carlos F. CSIC; García Arribas, Alberto CSIC ORCID; Ordejón, Pablo CSIC ORCIDartículo
openAccessGuster_JPhysCondMatt_2021_postprint.pdf.jpg24-feb-2021Anion ordering transition and Fermi surface electron–hole instabilities in the (TMTSF)2ClO4 and (TMTSF)2NO3 Bechgaard salts analyzed through the first-principles Lindhard response functionGuster, Bogdan CSIC ORCID; Pruneda, Miguel CSIC ORCID ; Ordejón, Pablo CSIC ORCID; Canadell, Enric CSIC ORCID; Pouget, Jean-Paulartículo
openAccessSilva_2DMat_2017_postprint.pdf.jpgjun-2017Anisotropic features in the electronic structure of the two-dimensional transition metal trichalcogenide TiS3: electron doping and plasmonsSilva Guillén, José Ángel; Canadell, Enric CSIC ORCID; Ordejón, Pablo CSIC ORCID; Guinea, F. CSIC ORCID; Roldán, Rafael CSIC ORCIDartículo
openAccessAtomically_sharp_lateral.pdf.jpg19-may-2022Atomically Sharp Lateral Superlattice Heterojunctions Built-In Nitrogen-Doped Nanoporous GrapheneTenorio, Maria CSIC; Moreno, César CSIC ORCID; Febrer, Pol CSIC ORCID; Castro-Esteban, Jesús; Ordejón, Pablo CSIC ORCID; Peña, Diego; Pruneda, Miguel CSIC ORCID ; Mugarza, Aitor CSIC ORCIDartículo
openAccessCorrection_Protic.pdf.jpg30-mar-2022Author Correction: The elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equationsProtik, Nakib H. CSIC ORCID; Li, Chunhua; Pruneda, Miguel CSIC ORCID ; Broido, David; Ordejón, Pablo CSIC ORCIDcorrigenda
openAccessBand selection and disentanglemen.pdf.jpgsep-2010Band selection and disentanglement using maximally localized Wannier functions: the cases of Co impurities in bulk copper and the Cu(111) surfaceKorytár, Richard CSIC ORCID; Pruneda, Miguel CSIC ORCID ; Junquera, Javier; Ordejón, Pablo CSIC ORCID; Lorente, Nicolás CSIC ORCID CVNartículo
openAccessGuster_JPhysCondMatt_2021_postprint.pdf.jpg23-sep-2021Basic aspects of the charge density wave instability of transition metal trichalcogenides NbSe3 and monoclinic-TaS3Guster, Bogdan CSIC ORCID; Pruneda, Miguel CSIC ORCID ; Ordejón, Pablo CSIC ORCID; Canadell, Enric CSIC ORCID; Pouget, Jean-Paulartículo
closedAccessaccesoRestringido.pdf.jpg23-sep-2021Basic aspects of the charge density wave instability of transition metal trichalcogenides NbSe3and monoclinic-TaS3Guster, Bogdan CSIC ORCID; Pruneda, Miguel CSIC ORCID ; Ordejón, Pablo CSIC ORCID; Canadell, Enric CSIC ORCID; Pouget, Jean-Paulartículo
closedAccessaccesoRestringido.pdf.jpg2012Chemically tunable transport phenomena of functionalized grapheneLeconte, Nicolás CSIC ORCID; Lherbier, Aurélien; Varchon, F.; Charlier, Jean-Christopher; Palacios, J. J.; Soriano, David CSIC ORCID; Ordejón, Pablo CSIC ORCID; Roche, Stephan CSIC ORCIDcomunicación de congreso
closedAccessaccesoRestringido.pdf.jpg2018Coexistence of distinct 3x3 structural distortions in the charge density wave state in NbSe2Guster, Bogdan CSIC ORCID; Dreher, Paul CSIC ORCID; Rubio-Verdú, Carmen; Robles, Roberto CSIC ORCID ; Zaldívar-Fernández, Javier; Choi, Deung-Jang CSIC ORCID; Pruneda, Miguel CSIC ORCID ; Ordejón, Pablo CSIC ORCID; Silva-Guillén, José Ángel CSIC ORCID; Pascual, José I.; Ugeda, Miguel M. CSIC ORCID CVN; Canadell, Enric CSIC ORCIDpóster de congreso
openAccessGuster_NanoLett_2019_postprint.pdf.jpg8-may-2019Coexistence of elastic Modulations in the charge density wave state of 2H-NbSe2Guster, Bogdan CSIC ORCID; Rubio-Verdú, Carmen; Robles, Roberto CSIC ORCID ; Zaldívar-Fernández, Javier; Dreher, Paul CSIC ORCID; Pruneda, Miguel CSIC ORCID ; Silva-Guillén, José Ángel CSIC ORCID; Deung-Jang, Choi; Pascual, José I.; Ugeda, Miguel M. CSIC ORCID CVN; Ordejón, Pablo CSIC ORCID; Canadell, Enric CSIC ORCIDartículo
openAccessGuster_PhysRevB_2022_ editorial.pdf.jpg1-feb-2022Competition between Ta-Ta and Te-Te bonding leading to the commensurate charge density wave in Ta Te 4Guster, Bogdan CSIC ORCID; Pruneda, Miguel CSIC ORCID ; Ordejón, Pablo CSIC ORCID; Canadell, Enric CSIC ORCIDartículo
openAccessCompetition_between_Ta-Ta.pdf.jpg22-feb-2022Competition between Ta-Ta and Te-Te bonding leading to the commensurate charge density wave in TaTe4Guster, Bogdan CSIC ORCID; Pruneda, Miguel CSIC ORCID ; Ordejón, Pablo CSIC ORCID; Canadell, Enric CSIC ORCIDartículo