Teoría computacional en Física de la materia condensada
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Centro de Física de Materiales
San Sebastián, EspañaPublicaciones en colaboración con investigadoras/es de Centro de Física de Materiales (54)
2024
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The PointGroupNRG code for numerical renormalization group calculations with discrete point-group symmetries
Computer Physics Communications, Vol. 296
2023
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Ab initio study of the structural, vibrational, and optical properties of potential parent structures of nitrogen-doped lutetium hydride
Physical Review B, Vol. 108, Núm. 6
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Shift photoconductivity in the Haldane model
Physical Review B, Vol. 108, Núm. 15
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Tuning the carrier injection barrier of hybrid metal-organic interfaces on rare earth-gold surface compounds
Nanoscale, Vol. 15, Núm. 8, pp. 4090-4100
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Understanding the large shift photocurrent of WS2 nanotubes: A comparative analysis with monolayers
Physical Review B, Vol. 108, Núm. 16
2022
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Effect of the valence state on the band magnetocrystalline anisotropy in two-dimensional rare-earth/noble-metal compounds
Physical Review Research, Vol. 4, Núm. 1
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Multiplet effects in the electronic correlation of one-dimensional magnetic transition metal oxides on metals
Physical Review B, Vol. 106, Núm. 3
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Nature of interfacial Dzyaloshinskii-Moriya interactions in graphene/Co/Pt(111) multilayer heterostructures
Physical Review B, Vol. 106, Núm. 6
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Role of the Magnetic Anisotropy in Atomic-Spin Sensing of 1D Molecular Chains
ACS Nano, Vol. 16, Núm. 10, pp. 16402-16413
2021
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Erratum: Influence of 4f filling on electronic and magnetic properties of rare earth-Au surface compounds (Nanoscale (2020) 12 (22258-22267) DOI: 10.1039/D0NR04964F)
Nanoscale
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Large Perpendicular Magnetic Anisotropy in Nanometer-Thick Epitaxial Graphene/Co/Heavy Metal Heterostructures for Spin-Orbitronics Devices
ACS Applied Nano Materials, Vol. 4, Núm. 5, pp. 4398-4408
2020
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Influence of 4f filling on electronic and magnetic properties of rare earth-Au surface compounds
Nanoscale, Vol. 12, Núm. 43, pp. 22258-22267
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Tunable 3D/2D magnetism in the (MnBi2Te4)(Bi2Te3) m topological insulators family
npj Quantum Materials, Vol. 5, Núm. 1
2019
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Prediction and observation of an antiferromagnetic topological insulator
Nature, Vol. 576, Núm. 7787, pp. 416-422
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Unique Thickness-Dependent Properties of the van der Waals Interlayer Antiferromagnet MnBi2Te4 Films
Physical Review Letters, Vol. 122, Núm. 10
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Validity of perturbative methods to treat the spin-orbit interaction: Application to magnetocrystalline anisotropy
New Journal of Physics, Vol. 21, Núm. 7
2018
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Ab initio investigation of impurity-induced in-gap states in Bi2Te3 and Bi2Se3
Physical Review B, Vol. 98, Núm. 3
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Magnetic properties of metal–organic coordination networks based on 3d transition metal atoms
Molecules, Vol. 23, Núm. 4
2017
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Energy loss and surface temperature effects in ab initio molecular dynamics simulations: N adsorption on Ag(111) as a case study
Physical Review B, Vol. 96, Núm. 8
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Manipulating the Magnetic Moment of Palladium Clusters by Adsorption and Dissociation of Molecular Hydrogen
Journal of Physical Chemistry C, Vol. 121, Núm. 38, pp. 20756-20762