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Browsing by Author Ordejón, Pablo

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openAccessGuster_2DMat_2018_postrpint.pdf.jpg10-Dec-20182 x 2 Charge Density Wave in single-layer TiTe2Guster, Bogdan; Robles, Roberto ; Pruneda, Miguel ; Canadell, Enric ; Ordejón, Pablo artículo
openAccessAbnanotube.pdf.jpg2002Ab initio calculations of the optical properties of 4-Å-diameter single-walled nanotubesMachón, M.; Reich, Stephanie; Thomsen, C.; Sánchez-Portal, Daniel  ; Ordejón, Pablo artículo
openAccessabsilicon.pdf.jpg2002Ab initio local vibrational modes of light impurities in siliconPruneda, Miguel ; Estreicher, S. K.; Junquera, Javier; Ferrer, J.; Ordejón, Pablo artículo
closedAccessaccesoRestringido.pdf.jpg2018Addressing the environment electrostatic effect on ballistic electron transport in large systems: A QM/MM-NEGF approachFeliciano, Gustavo T.; Sanz-Navarro, Carlos F. ; Domingues Coutinho-Neto, Mauricio; Ordejón, Pablo ; Scheicher, Ralph H.; Reily Rocha, Alexandreartículo
closedAccessaccesoRestringido.pdf.jpg2019AiidA Workflow for High-throughput computation of formation energyAkhtar, A.; Ordejón, Pablo ; Pruneda, Miguel póster de congreso
openAccessAn efficient implementation of a QM-MM.pdf.jpg2011An efficient implementation of a QM–MM method in SIESTASanz-Navarro, Carlos F. ; García Arribas, Alberto ; Ordejón, Pablo artículo
embargoedAccessGuster_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; Pruneda, Miguel ; Ordejón, Pablo ; Canadell, Enric ; 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 ; Ordejón, Pablo ; Guinea, F. ; Roldán, Rafael artículo
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 ; Pruneda, Miguel ; Junquera, Javier; Ordejón, Pablo ; Lorente, Nicolás artículo
closedAccessaccesoRestringido.pdf.jpg2012Chemically tunable transport phenomena of functionalized grapheneLeconte, Nicolás ; Lherbier, Aurélien; Varchon, F.; Charlier, Jean-Christopher; Palacios, J. J.; Soriano, David ; Ordejón, Pablo ; Roche, Stephan comunicación de congreso
closedAccessaccesoRestringido.pdf.jpg2018Coexistence of distinct 3x3 structural distortions in the charge density wave state in NbSe2Guster, Bogdan; Dreher, Paul; Rubio-Verdú, Carmen; Robles, Roberto ; Zaldívar-Fernández, Javier; Choi, Deung-Jang; Pruneda, Miguel ; Ordejón, Pablo ; Silva-Guillén, José Ángel ; Pascual, José I.; Ugeda, Miguel M.; Canadell, Enric póster de congreso
openAccessGuster_NanoLett_2019_postprint.pdf.jpg8-May-2019Coexistence of elastic Modulations in the charge density wave state of 2H-NbSe2Guster, Bogdan; Rubio Verdú, Carmen; Robles, Roberto ; Zaldívar, Javier; Dreher, Paul; Alonso Pruneda, José Miguel ; Silva-Guillén, José Ángel ; Deung-Jang, Choi; Pascual, José I.; Ugeda, Miguel M.; Ordejón, Pablo ; Canadell, Enric artículo
openAccesscomputisies.pdf.jpg2019Computing material properties with SIESTAOrdejón, Pablo comunicación de congreso
closedAccessaccesoRestringido.pdf.jpg2010Damaging Graphene with Ozone Treatment: A Chemically Tunable Metal−Insulator TransitionLeconte, Nicolás ; Moser, Joel ; Ordejón, Pablo ; Tao, Haihua ; Lherbier, Aurélien; Bachtold, Adrian ; Alzina, Francesc ; Sotomayor Torres, C. M. ; Charlier, Jean-Christopher; Roche, Stephan artículo
openAccesse134116.pdf.jpg2010Density-wave instability in α-(BEDT-TTF)2KHg(SCN)4 studied by x-ray diffuse scattering and by first-principles calculationsOrdejón, Pablo ; Canadell, Enric artículo
closedAccessaccesoRestringido.pdf.jpg2014Electronic properties of single-layer and multilayer transition metal dichalcogenides MX2 (M = Mo, W and X = S, Se)Roldán, Rafael ; Silva-Guillén, José Ángel ; López-Sancho, María Pilar ; Guinea, F. ; Cappelluti, E. ; Ordejón, Pablo artículo
openAccessSilva_2DMaterials_2016_editorial.pdf.jpg16-Sep-2016Electronic structure of 2H-NbSe2 single-layers in the CDW stateSilva-Guillén, José Ángel ; Ordejón, Pablo ; Guinea, F. ; Canadell, Enric artículo
closedAccess2010Electronic Transport between Graphene Layers Covalently Connected by Carbon NanotubesNovaes, Frederico D. ; Rurali, Riccardo ; Ordejón, Pablo artículo
closedAccessaccesoRestringido.pdf.jpg2012Electroresistance Effect in Ferroelectric Tunnel Junctions with Symmetric ElectrodesBilc, D. I.; Novaes, Frederico D. ; Íñiguez, Jorge ; Ordejón, Pablo ; Ghosez, P.artículo
openAccessGuster_PhysRevMater_2019_editorial.pdf.jpg16-May-2019Evidence for the weak coupling scenario of the Peierls transition in the blue bronzeGuster, Bogdan; Alonso Pruneda, José Miguel ; Ordejón, Pablo ; Canadell, Enric ; Pouget, Jean-Paulartículo