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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
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.jpg2019AiidA Workflow for High-throughput computation of formation energyAkhtar, Arsalan CSIC ORCID; Ordejón, Pablo CSIC ORCID; Pruneda, Miguel CSIC ORCID póster de congreso
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
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.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
openAccessDynamic_control_of_octahedral_rotation.pdf.jpg1-jun-2022Dynamic control of octahedral rotation in perovskites by defect engineeringJia, Jiahui CSIC ORCID; He, Xu CSIC ORCID; Akhtar, Arsalan CSIC ORCID; Herranz, Gervasi CSIC ORCID; Pruneda, Miguel CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg2020Effect of Cr on the hydrogen storage and electronic properties of BCC alloys: Experimental and first-principles studyBalcerzak, Mateusz; Wagstaffe, M.; Robles, Roberto CSIC ORCID ; Pruneda, Miguel CSIC ORCID ; Noei, H.artículo
closedAccessaccesoRestringido.pdf.jpg2017Electrical and thermal transport in coplanar polycrystalline graphene-hBN heterostructuresBarrios Vargas, José Eduardo CSIC ORCID; Mortazavi, Bohayra; Cummings, Aron W. CSIC ORCID; Martínez-Gordillo, Rafael CSIC; Pruneda, Miguel CSIC ORCID ; Colombo, Luciano CSIC ORCID; Rabczuk, Timon; Roche, Stephan CSIC ORCIDartículo
openAccessElectrochemical ferroelectric switching.pdf.jpg2012Electrochemical ferroelectric switching: Origin of polarization reversal in ultrathin filmsBristowe, N. C.; Stengel, Massimiliano CSIC ORCID; Littlewood, P. B.; Pruneda, Miguel CSIC ORCID ; Artacho, Emilioartículo
openAccesshybrid monolayers.pdf.jpg2015Electromechanical response at polar zigzag boundaries in hybrid monolayersMartínez-Gordillo, Rafael CSIC; Pruneda, Miguel CSIC ORCID artículo
openAccesselectrprincip.pdf.jpg2007Electronic stopping power in LiF from first principlesPruneda, Miguel CSIC ORCID ; Sánchez-Portal, Daniel CSIC ORCID ; Arnau, Andrés CSIC ORCID; Juaristi Oliden, Joseba Iñaki CSIC ORCID; Artacho, Emilioartículo
openAccessGuster_PhysRevMater_2019_editorial.pdf.jpg16-may-2019Evidence for the weak coupling scenario of the Peierls transition in the blue bronzeGuster, Bogdan CSIC ORCID; Pruneda, Miguel CSIC ORCID ; Ordejón, Pablo CSIC ORCID; Canadell, Enric CSIC ORCID; Pouget, Jean-Paulartículo