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Browsing by Author Pruneda, Miguel

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embargoedAccessGuster_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
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.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
closedAccessaccesoRestringido.pdf.jpg2017Electrical and thermal transport in coplanar polycrystalline graphene-hBN heterostructuresBarrios Vargas, José Eduardo; Mortazavi, Bohayra; Cummings, Aron W.; Martínez-Gordillo, Rafael; Pruneda, Miguel ; Colombo, Luciano; Rabczuk, Timon; Roche, Stephan Artículo
openAccessElectrochemical ferroelectric switching.pdf.jpg2012Electrochemical ferroelectric switching: Origin of polarization reversal in ultrathin filmsBristowe, N. C.; Stengel, Massimiliano ; Littlewood, P. B.; Pruneda, Miguel ; Artacho, EmilioArtículo
openAccesshybrid monolayers.pdf.jpg2015Electromechanical response at polar zigzag boundaries in hybrid monolayersMartínez-Gordillo, Rafael; Pruneda, Miguel Artículo
openAccessGuster_2DMat_2018_postprint.pdf.jpg23-Mar-2018First principles analysis of the CDW instability of single-layer 1T-TiSe2 and its evolution with charge carrier densityGuster, Bogdan; Canadell, Enric ; Pruneda, Miguel ; Ordejón, Pablo Artículo
closedAccessaccesoRestringido.pdf.jpg2004First-principles infrared spectrum of nitric acid and nitric acid monohydrate crystalsFernández Torre, Delia ; Escribano, Rafael ; Archer, Tom; Pruneda, Miguel ; Artacho, EmilioArtículo
closedAccessaccesoRestringido.pdf.jpg2012First-principles study of hybrid Graphene/MnO2 bilayersPruneda, Miguel Comunicación de congreso
closedAccessaccesoRestringido.pdf.jpg2017Graphene-based synthetic antiferromagnets: and ab-initio studyCuadrado, R.; Ordejón, Pablo ; Pruneda, Miguel Póster
openAccessNative defects in hybrid C-BN nanostructures.pdf.jpg2012Native defects in hybrid C/BN nanostructures by density functional theory calculationsPruneda, Miguel Artículo
openAccessAlNsurf.pdf.jpg2016Noncontact atomic force microscopy and density functional theory studies of the (2×2) reconstructions of the polar AlN(0001) surfaceChaumeton, Florian; Robles, Roberto ; Pruneda, Miguel ; Lorente, Nicolás ; Eydoux, Benoit; Bouju, Xavier; Gauthier, Sébastien; Martrou, DavidArtículo
closedAccessaccesoRestringido.pdf.jpg2017Origin and manipulation of the CDW instability of single-layer 1T-TiSe2 and its evolution with charge carrier densityGuster, Bogdan; Canadell, Enric ; Pruneda, Miguel ; Ordejón, Pablo Póster
openAccesse161409.pdf.jpg2010Origin of half-semimetallicity induced at interfaces of C-BN heterostructuresPruneda, Miguel Artículo
closedAccessaccesoRestringido.pdf.jpg2014Piezoelectric monolayers as nonlinear energy harvestersLópez-Suárez, Miquel; Pruneda, Miguel ; Abadal, Gabriel; Rurali, Riccardo Artículo
closedAccessaccesoRestringido.pdf.jpg2015Polar discontinuities and 1D interfaces in monolayered materialsMartínez-Gordillo, Rafael; Pruneda, Miguel Artículo
closedAccess2010Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 NanoclustersOrdejón, Pablo ; Pruneda, Miguel Artículo
closedAccess24-Jan-2008The SIESTA method; developments and applicabilityArtacho, Emilio; Anglada, E.; Diéguez, Oswaldo ; Gale, Julian D.; García Arribas, Alberto ; Junquera, Javier; Martin, R. M.; Ordejón, Pablo ; Pruneda, Miguel ; Sánchez-Portal, Daniel ; Soler, José M.Artículo
closedAccessaccesoRestringido.pdf.jpg2014Theoretical study on the influence of the Mg2+ and Al3+ octahedral cations on the vibrational spectra of the hydroxy groups of dioctahedral 2:1 phyllosilicate modelsHernández-Haro, N.; Ortega-Castro, Joaquín; Pruneda, Miguel ; Sainz-Díaz, C. Ignacio; Hernández-Laguna, A.Artículo
openAccessfingerprints.pdf.jpg2014Transport fingerprints at graphene superlattice Dirac points induced by a boron nitride substrateMartínez-Gordillo, Rafael; Roche, Stephan ; Ortmann, F. ; Pruneda, Miguel Artículo