English   español  

Browsing by Author Ordejón, Pablo

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 1 to 20 of 57  next >
RightsPreviewIssue DateTitleAuthor(s)Type
openAccessGuster_2DMat_2018_postrpint.pdf.jpg10-Dec-20182 x 2 Charge Density Wave in single-layer TiTe2Guster, Bogdan; Robles, Roberto CSIC ORCID; Pruneda, Miguel CSIC ORCID; Canadell, Enric CSIC ORCID; Ordejón, Pablo CSIC ORCIDartículo
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 T.; 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, A.; Ordejón, Pablo CSIC ORCID; Pruneda, Miguel CSIC ORCIDpóster 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
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 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
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 CSICartículo
closedAccessaccesoRestringido.pdf.jpg2012Chemically tunable transport phenomena of functionalized grapheneLeconte, Nicolás; 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; Dreher, Paul; Rubio-Verdú, Carmen; Robles, Roberto CSIC ORCID; Zaldívar-Fernández, Javier; Choi, Deung-Jang; Pruneda, Miguel CSIC ORCID; Ordejón, Pablo CSIC ORCID; Silva-Guillén, José Ángel; Pascual, José I.; Ugeda, Miguel M.; 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; Rubio-Verdú, Carmen; Robles, Roberto CSIC ORCID; Zaldívar, Javier; Dreher, Paul; Alonso Pruneda, José Miguel ; Silva-Guillén, José Ángel; Deung-Jang, Choi; Pascual, José I.; Ugeda, Miguel M.; Ordejón, Pablo CSIC ORCID; Canadell, Enric CSIC ORCIDartículo
openAccesscomputisies.pdf.jpg2019Computing material properties with SIESTAOrdejón, Pablo CSIC ORCIDcomunicación de congreso
closedAccessaccesoRestringido.pdf.jpg2010Damaging Graphene with Ozone Treatment: A Chemically Tunable Metal−Insulator TransitionLeconte, Nicolás; Moser, Joel CSIC ORCID; Ordejón, Pablo CSIC ORCID; Tao, Haihua CSIC; Lherbier, Aurélien; Bachtold, Adrian CSIC ORCID; Alzina, Francesc CSIC ORCID; Sotomayor Torres, C. M. CSIC ORCID; Charlier, Jean-Christopher; Roche, Stephan CSIC ORCIDartículo
openAccesse134116.pdf.jpg2010Density-wave instability in α-(BEDT-TTF)2KHg(SCN)4 studied by x-ray diffuse scattering and by first-principles calculationsOrdejón, Pablo CSIC ORCID; Canadell, Enric CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2014Electronic properties of single-layer and multilayer transition metal dichalcogenides MX2 (M = Mo, W and X = S, Se)Roldán, Rafael CSIC ORCID; Silva-Guillén, José Ángel; López-Sancho, María Pilar CSIC ORCID; Guinea, F. CSIC ORCID; Cappelluti, E. CSIC ORCID; Ordejón, Pablo CSIC ORCIDartículo
openAccessSilva_2DMaterials_2016_editorial.pdf.jpg16-Sep-2016Electronic structure of 2H-NbSe2 single-layers in the CDW stateSilva-Guillén, José Ángel; Ordejón, Pablo CSIC ORCID; Guinea, F. CSIC ORCID; Canadell, Enric CSIC ORCIDartículo
closedAccess2010Electronic Transport between Graphene Layers Covalently Connected by Carbon NanotubesNovaes, Frederico D. CSIC; Rurali, Riccardo CSIC ORCID; Ordejón, Pablo CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2012Electroresistance Effect in Ferroelectric Tunnel Junctions with Symmetric ElectrodesBilc, D. I.; Novaes, Frederico D. CSIC; Íñiguez, Jorge CSIC ORCID; Ordejón, Pablo CSIC ORCID; 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 CSIC ORCID; Canadell, Enric CSIC ORCID; Pouget, Jean-Paulartículo