RESEARCH
2D Materials and heterostructures
We investigate the structural, electronic and magnetic properties at the 2D limit through state-of-the-art computational methods and model Hamiltonians, using orbitally-resolved analysis, as well as the potential applications of 2D materials in spintronics and magnonics. We primarily focus on 2D magnetic materials, 2D multiferroic materials and van der Waals heterostructures.
“On the Origin of the Above-Room-Temperature Magnetism in the 2D van der Waals Ferromagnet Fe3GaTe2”
A.M. Ruiz; D.L. Esteras; D. López-Alcalá; J.J. Baldoví
“Fluorination of antimonene hexagons”
M. Fickert; R. Martínez-Haya; D. López-Alcalá; F. Hauke; J.J. Baldoví; Gonzalo Abellán
“Exploring spin-phonon coupling in magnetic 2D metal-organic frameworks”
D. López-Alcalá; A. M. Ruiz; J. J. Baldoví
“Local control of superconductivity in a NbSe2/CrSBr van der Waals heterostructure”
J. Jo; Y. Peisen; H. Yang; S. Mañas-Valero; J. J. Baldoví; Y. Lu; E. Coronado; F. Casanova; F. S. Bergeret; M. Gobbi; L. Hueso
“Strain engineering of magnetic exchange and topological magnons in chromium trihalides from first-principles”
D. L. Esteras; J. J. Baldoví
“Valence band electronic structure of the van der Waals antiferromagnet FePS3”
J. E. Nitschke; D. L. Esteras; M. Gutnikov; K. Schiller; S. Mañas-Valero; E. Coronado; M. Stupar; G. Zamborlini; S. Ponzoni; J. J. Baldoví; M. Cinchetti
“Magnetic order in 2D antiferromagnets revealed by spontaneous anisotropic magnetostriction”
M.J.A. Houmes; G. Baglioni; M. Siskins; M. Lee; D.L. Esteras; A.M. Ruiz; S. Mañas-Valero; C. Boix-Constant; J.J. Baldoví; E. Coronado; Y. Blanter; P.G. Steeneken; H.S.J. van der Zant
“Magnon Straintronics in the 2D van der Waals Ferromagnet CrSBr from First-Principles”
D. L. Esteras; A. Rybakov; A. M. Ruiz; J. J. Baldoví
“Photoluminescence Enhancement by Band Alignment Engineering in MoS2/FePS3 van der Waals Heterostructures”
M. Ramos; F. Marques-Moros; D. L. Esteras; S. Mañas-Valero; E. Henríquez-Guerra; M. Gadea; J. J. Baldoví; J. Canet-Ferrer; E. Coronado; M. R. Calvo
ACS applied materials & interfaces. 14 - 29, 33482 – 33490 (2022)
“Probing the spin dimensionality in single-layer CrSBr van der Waals heterostructures by magneto-transport measurements”
C. Boix-Constant; S. Mañas-Valero; A. M. Ruiz; A. Rybakov; K. A. Konieczny; S. Pillet; J. J. Baldoví; E. Coronado
“Tailoring spin waves in 2D transition metal phosphorus trichalcogenides via atomic-layer substitution”
A. M. Ruiz; D. L. Esteras; A. Rybakov; J. J. Baldoví
“Out-of-Plane Transport of 1T-TaS2/Graphene-Based van der Waals Heterostructures”
C. Boix-Constant; S. Mañas-Valero; R. Córdoba; J. J. Baldoví; Á. Rubio; E. Coronado
“Ultra-broad spectral photo-response in FePS3 air-stable devices”
M. Ramos; F. Carrascoso; R. Frisenda; P. Gant; S. Mañas-Valero; D. L. Esteras; J. J. Baldoví; E. Coronado; A. Castellanos-Gómez; M. R. Calvo
Molecular/2D hybrid materials
We study the properties of sublimable organic and inorganic molecules on the surface of two-dimensional materials, modeling the interface-induced properties with the goal of creating new smart devices based on the coherent control of these properties.
“Opening the Hysteresis Loop in Ferromagnetic Fe3GeTe2 Nanosheets Through Functionalization with TCNQ Molecules”
G.S. Kumar; A.M. Ruiz; J. García-Oliver; Y. Xin; J.J. Baldoví; M. Shatruk
“Magnon Sensing of NO, NO2 and NH3 Gas Capture on CrSBr Monolayer”
G. Rivero‐Carracedo; A. Rybakov; J.J. Baldoví
“Towards molecular controlled magnonics”
A.M. Ruiz; G. Rivero-Carracedo; A. Rybakov; S. Dey; J.J. Baldoví
“Hexagonal Hybrid Bismuthene by Molecular Interface Engineering”
C. Dolle; V. Oestreicher; A. M. Ruiz; M. Kohring; F. Garnes-Portolés; M. Wu; G. Sánchez-Santolino; Á. Seijas-Da Silva; M. Alcaraz; Y. M. Eggeler; E. Spiecker; J. Canet-Ferrer; A. Leyva-Pérez; H. B. Weber; M. Varela; J. J. Baldoví; G. Abellán
Journal of the American Chemical Society. 145 - 23, 12487 – 12498 (2023)
“Exploring the effect of the covalent functionalization in graphene-antimonene heterostructures”
M. Fickert; R. Martínez-Haya; A.M. Ruiz; J.J. Baldoví; G. Abellán
Molecular magnetic materials
We design and investigate low-dimensional molecular materials with intriguing magnetic properties (molecular nanomagnets, molecular quantum bits, magnetic metal-organic frameworks, etc.), taking advantage of the vast flexibility provided by chemistry.
“Promoting photoswitching in mismatching mixed-linker multivariate Zr6 MOFs”
C. Rosales-Martínez; D. López-Alcalá; M. Assis; C. Castillo-Blas; J.J. Baldoví; I. Abánades Lázaro
“Tunable SIM properties in a family of 3D anilato-based lanthanide-MOFs”
N. Monni; S. Dey; V. García-López; M. Oggianu; J.J. Baldoví; M.L. Mercuri; M. Clemente-León; E. Coronado
“Vibronic Relaxation Pathways in Molecular Spin Qubit Na9[Ho(W5O18)2]·35H2O under Pressure”
J. L. Musfeldt; Z. Liu; D. López-Alcalá; Y. Duan; A. Gaita-Ariño; J. J. Baldoví; E. Coronado
“Data-driven design of molecular nanomagnets”
Y. Duan; L. E. Rosaleny; J. T. Coutinho; S. Giménez-Santamarina; A. Scheie; J. J. Baldoví; S. Cardona-Serra; A. Gaita-Ariño
“Reversible tuning of luminescence and magnetism in a structurally flexible erbium–anilato MOF”
N. Monni; J. J. Baldoví; V. García-López; M. Oggianu; E. Cadoni; F. Quochi; M. Clemente-León; M. L. Mercuri; E. Coronado
“Insights on the coupling between vibronically active molecular vibrations and lattice phonons in molecular nanomagnets”
A. Ullah; J. J. Baldoví; A. Gaita-Ariño; E. Coronado
“Quantum coherent spin-electric control in a molecular nanomagnet at clock transitions”
J. Liu; J. Mrozek; Y. Duan; A. Ullah; J. J. Baldoví; E. Coronado; A. Gaita-Ariño; A. Ardavan
“Spectroscopic Analysis of Vibronic Relaxation Pathways in Molecular Spin Qubit [Ho(W5O18)2]9–: Sparse Spectra Are Key”
JA. L. Blockmon; A. Ullah; K. D. Hughey; Y. Duan; K. R. O'Neal; M. Ozerov; J. J. Baldoví; J. Aragó; A. Gaita-Ariño; E. Coronado; J. L. Musfeldt
“Design of high-temperature f-block molecular nanomagnets through the control of vibration-induced spin relaxation”
L. Escalera-Moreno; J. J. Baldoví; A. Gaita-Ariño; E. Coronado
“Unveiling the Effect of Magnetic Noise in the Coherence of Single-Molecule Quantum Processors”
L. Escalera-Moreno, J. J. Baldoví
“In Silico Molecular Engineering of Dysprosocenium-Based Complexes to Decouple Spin Energy Levels from Molecular Vibrations”
A. Ullah, J. Cerda, J. J. Baldoví, S. A. Varganov, J. Arago, J; A. Gaita-Arino
Strongly correlated materials
We investigate the electronic structure of strongly correlated quantum materials such as topological insulators, superconductors, quantum spin liquids, and heterostructures. We combine ab initio calculations with tight-binding Hamiltonians based on maximally-localized Wannier functions.
“Band structure, superconductivity, and polytypism in AuSn4”
E. Herrera; B. Wu; E. O'Leary; A. M. Ruiz; M. Águeda; P. García Talavera; V. Barrena; J. Azpeitia; C. Munuera; M. García-Hernández; L.-L. Wang; A. Kaminski; P. C. Canfield; J. J. Baldoví; I. Guillamón; H. Suderow
“Superconducting density of states and band structure at the surface of the candidate topological superconductor Au2Pb”
F. Martín-Vega; E. Herrera; B. Wu; V. Barrena; F. Mompeán; M. García-Hernández; P. C. Canfield; A. M. BlackSchaffer; J. J. Baldoví; I. Guillamón; H. Suderow
“Coherent coupling between vortex bound states and magnetic impurities in 2D layered superconductors”
S. Park; V. Barrena; S. Mañas-Valero; J. J. Baldoví; A. Fente; E. Herrera; F. Mopeán; M. García-Hernández; Á. Rubio; E. Coronado; I. Guillamón; A. Levy Yeyati; H. Suderow
