643 citations · 1.8k across the 29 of their papers we have counts for
15 papers · 1 filter
Ferromagnetism on an atom-thick and extended 2D-metal-organic framework
Jorge Lobo-Checa, Leyre Hernández-López, Mikhail M. Otrokov +8
Ferromagnetism (FM) is the cornerstone of permanent magnets, data storage and other technologies that directly impact our everyday life by their implementation in standard applicat…
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…
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…
Native point defects and their implications for the Dirac point gap at MnBiTe(0001)
M. Garnica, M. M. Otrokov, P. Casado Aguilar +13
The Dirac point gap at the surface of the antiferromagnetic topological insulator MnBiTe is a highly debated issue. While the early photoemission measurements reported on l…
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…
On the validity of the Arrhenius picture in two-dimensional submonolayer growth
Joseba Alberdi-Rodriguez, Shree Ram Acharya, Talat S. Rahman +2
For surface-mediated processes, such as on-surface synthesis, epitaxial growth and heterogeneous catalysis, a constant slope in the Arrhenius diagram of the corresponding rate of i…
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…
Highly-ordered wide bandgap materials for quantized anomalous Hall and magnetoelectric effects
Mikhail M. Otrokov, Tatiana V. Menshchikova, Maia G. Vergniory +8
An interplay of spin-orbit coupling and intrinsic magnetism is known to give rise to the quantum anomalous Hall and topological magnetoelectric effects under certain conditions. Th…
Symmetry, Shape and Energy Variations in Frontier Molecular Orbitals at Organic/Metal Interfaces: the Case of FTCNQ
Patrizia Borghetti, Ane Sarasola, Nestor Merino-Diez +6
Near Edge X-ray Absorption, Valence and Core-level Photoemission and Density Functional Theory calculations are used to study molecular levels of tetracyano-2,3,5,6-tetrafluoroquin…
Submolecular resolution by variation of IETS amplitude and its relation to AFM/STM signal
Bruno de la Torre, Martin Švec, Giuseppe Foti +8
Here we show scanning tunnelling microscopy (STM), non-contact atomic force microscopy (AFM) and inelastic electron tunnelling spectroscopy (IETS) measurements on organic molecule…
Electronic stopping power in gold: The role of d electrons and the H/He anomaly
M. Ahsan Zeb, J. Kohanoff, D. Sanchez-Portal +3
The electronic stopping power of H and He moving through gold is obtained to high accuracy using time-evolving density-functional theory, thereby bringing usual first-principles ac…
Substrate-Induced Cooperative Effects in Water Adsorption from Density Functional Calculations
Pepa Cabrera-Sanfelix, M. V. Fernández-Serra, A. Arnau +1
Density Functional Theory calculations are used to investigate the role of substrate-induced cooperative effects on the adsorption of water on a partially oxidized transition metal…
Formation of dispersive hybrid bands at an organic-metal interface
N. Gonzalez-Lakunza, I. Fernandez-Torrente, K. J. Franke +3
An electronic band with quasi-one dimensional dispersion is found at the interface between a monolayer of a charge-transfer complex (TTF-TCNQ) and a Au(111) surface. Combined local…
Role of elastic scattering in electron dynamics at ordered alkali overlayers on Cu(111)
C. Corriol, V. M. Silkin, D. Sanchez-Portal +7
Scanning tunneling spectroscopy of p(2x2) Cs and Na ordered overlayers on Cu(111) reveals similar line widths of quasi two-dimensional quantum well states despite largely different…