643 citations · 1.1k across the 17 of their papers we have counts for
17 papers
Single Atom Magnets on Thermally Stable Adsorption Sites: Dy on NaCl(100)
M. Pivetta, M. Blanco-Rey, S. Reynaud +14
We report magnetic bistability in single Dy atoms on NaCl(100) thin films. Individual Dy atoms substituting Na at the surface of the NaCl layer are thermally stable up to at least…
Numerical renormalization group calculations for magnetic impurity systems with spin-orbit coupling and crystal-field effects
Aitor Calvo-Fernández, María Blanco-Rey, Asier Eiguren
Exploiting symmetries in the numerical renormalization group (NRG) method significantly enhances performance by improving accuracy, increasing computational speed, and optimizing m…
Theoretical model for multi-orbital Kondo screening in strongly correlated molecules with several unpaired electrons
Aitor Calvo-Fernández, Manish Kumar, Diego Soler-Polo +3
The mechanism of Kondo screening in strongly correlated molecules with several unpaired electrons on a metal surface is still under debate. Here, we provide a theoretical framework…
The role of rare-earth atoms in the anisotropy and antiferromagnetic exchange coupling at a hybrid metal-organic interface
María Blanco-Rey, Rodrigo Castrillo, Khadiza Ali +9
Magnetic anisotropy and magnetic exchange interactions are crucial parameters that characterize the hybrid metal-organic interface, key component of an organic spintronic device. W…
Multi-orbital Kondo screening in strongly correlated polyradical nanographenes
Aitor Calvo-Fernández, Diego Soler-Polo, Andrés Pinar Solé +9
We discuss coexistence of Kondo and spin excitation signals in tunneling spectroscopy in strongly correlated polyradical -magnetic nanographenes on a metal surface. The Kondo si…
The PointGroupNRG code for numerical renormalization group calculations with discrete point-group symmetries
Aitor Calvo-Fernández, María Blanco-Rey, Asier Eiguren
The numerical renormalization group (NRG) has been widely used as a magnetic impurity solver since the pioneering works by Wilson. Over the past decades, a significant attention ha…
Multiplet Effects in the Electronic Correlation of One-Dimensional Magnetic Transition-Metal Oxides on Metals
J. Goikoetxea, C. Friedrich, G. Bihlmayer +3
We use the constrained random phase approximation (cRPA) method to calculate the Hubbard parameter in four one-dimensional magnetic transition metal atom oxides of composition…
The Role of the Magnetic Anisotropy in Atomic-Spin Sensing of 1D Molecular Chains
Christian Wäckerlin, Aleš Cahlík, Joseba Goikoetxea +11
One-dimensional metal-organic chains often possess a complex magnetic structure susceptible to be modified by a alteration of their chemical composition. The possibility to tune th…
Nature of Interfacial Dzyaloshinskii-Moriya Interactions in Graphene/Co/Pt(111) Multilayer Heterostructures
M. Blanco-Rey, G. Bihlmayer, A. Arnau +1
DFT calculations within the generalized Bloch theorem approach show that interfacial Dzyaloshinskii-Moriya interactions (DMI) at both interfaces of Graphene/Co/Pt(111) multilay…
Valence state determines the band magnetocrystalline anisotropy in 2D rare-earth/noble-metal compounds
M. Blanco-Rey, R. Castrillo-Bodero, K. Ali +6
In intermetallic compounds with zero-orbital momentum () the magnetic anisotropy and the electronic band structure are interconnected. Here, we investigate this connection on…
Origin of the Large Perpendicular Magnetic Anisotropy in Nanometer-thick Epitaxial Graphene/Co/Heavy Metal Heterostructures
M. Blanco-Rey, P. Perna, A. Gudin +13
A combination of theoretical modelling and experiments reveals the origin of the large perpendicular magnetic anisotropy (PMA) that appears in nanometer-thick epitaxial Co films in…
Variety of magnetic topological phases in the (MnBiTe)(BiTe) family
I. I. Klimovskikh, M. M. Otrokov, D. Estyunin +23
Quantum states of matter combining non-trivial topology and magnetism attract a lot of attention nowadays; the special focus is on magnetic topological insulators (MTIs) featuring…
Magnetocrystalline Anisotropy of Fe-based Alloys: Validity of Approximate Methods to Treat the Spin-Orbit Interaction
M. Blanco-Rey, J. I. Cerda, A. Arnau
First-principles calculations are used to gauge different levels of approximation to calculate the magnetocrystalline anisotropy energies (MAE) of five FeMe alloys (Me=Co, C…
Unique thickness-dependent properties of the van der Waals interlayer antiferromagnet films
Mikhail M. Otrokov, Igor P. Rusinov, María Blanco-Rey +7
Using density functional theory and Monte Carlo calculations, we study the thickness dependence of the magnetic and electronic properties of a van der Waals interlayer antiferromag…
Magnetic properties of metal-organic coordination networks based on 3d transition metal atoms
María Blanco-Rey, Ane Sarasola, Corneliu Nistor +8
The magnetic anisotropy and exchange coupling between spins localized at the positions of 3d transition metal atoms forming two-dimensional metal-organic coordination networks (MOC…
Silicene vs. ordered 2D silicide: the atomic and electronic structure of the Si-/Pt(111) surface reconstruction
Martin Svec, Prokop Hapala, Martin Ondracek +8
We discuss the possibility of a 2D ordered structure formed upon deposition of Si on metal surfaces. We investigate the atomic and electronic structure of the Si-$(\sqrt{19}\times\…
Diffusion of Hydrogen in Pd Assisted by Inelastic Ballistic Hot Electrons
M. Blanco-Rey, M. Alducin, J. I. Juaristi +1
Sykes {\it et al.} [Proc. Natl. Acad. Sci. {\bf 102}, 17907 (2005)] have reported how electrons injected from a scanning tunneling microscope modify the diffusion rates of H buried…