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Browsing by Author Pruneda, Miguel

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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
closedAccessaccesoRestringido.pdf.jpg2019AiidA Workflow for High-throughput computation of formation energyAkhtar, A.; Ordejón, Pablo ; Pruneda, Miguel póster de congreso
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 de congreso
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
openAccessexplormembran.pdf.jpg2019Exploring nanoporous graphene as a membraneFebrer, P.; Akhtar, A.; Tenorio, Maria; Moreno, César ; Mugarza, Aitor ; Ordejón, Pablo ; Pruneda, Miguel comunicación de congreso
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.jpg2019Graphene-based synthetic antiferromagnet trilayer structure with close to zero net magnetizationValvidares, Manuel; Gargiani, Pierluigi; Melo, L.; Vasili, H. B.; Bleu, Y.; Perna, P.; Miranda, Rodolfo ; Camarero, Julio; Cuadrado, Ramón ; Pruneda, Miguel ; Sánchez Barrera, Florencio póster de congreso
closedAccessaccesoRestringido.pdf.jpg2017Graphene-based synthetic antiferromagnets: and ab-initio studyCuadrado, Ramón ; Ordejón, Pablo ; Pruneda, Miguel póster de congreso
openAccessgraphenestructu.pdf.jpg2019Graphene-based synthetic ferrimagnets, antiferromagnets and exchange-biased ultrathin-film structuresValvidares, Manuel; Gargiani, Pierluigi; Melo, L.; Vasili, H. B.; Bleu, Y.; Perna, P.; Miranda, Rodolfo ; Camarero, Julio; Cuadrado, Ramón ; Pruneda, Miguel ; Sánchez Barrera, Florencio comunicación de congreso
openAccessinterlayer_spacers_synthetic_2D-based_antiferromagnets.pdf.jpg11-Dec-2019Guidelines for selecting interlayer spacers in synthetic 2D-based antiferromagnets from first-principles simulationsCuadrado, Ramón ; Pruneda, Miguel artículo
openAccessimplemHamilton.pdf.jpg2018Implementation of non-collinear spin-constrained DFT calculations in SIESTA with a fully relativistic HamiltonianCuadrado, Ramón ; Pruneda, Miguel ; García Arribas, Alberto ; Ordejón, Pablo artículo
openAccessmechaninanoflu.pdf.jpg2018Mechanisms behind the enhancement of thermal properties of graphene nanofluidsRodríguez-Laguna, María del Rocío ; Castro-Alvarez, A.; Sledzinska, Marianna ; Maire, Jeremie; Costanzo, Francesca; Ensing, Bernd; Pruneda, Miguel ; Ordejón, Pablo ; Sotomayor Torres, C. M. ; Gómez-Romero, P.  ; Chávez, Emigdio artículo
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 de congreso