RESEARCH GROUPS
Although independent research groups remain, the Centre operates as a transversal, challenge-oriented research ecosystem, promoting flexible collaborations and project-driven approaches that integrate expertise across traditional disciplinary boundaries, defined by the five research lines and transversely crossed by the two axis of societal domains.
GAS/SOLID INTERFACES
The “Gas/Solid Interfaces” group focuses on the atomic-level understanding of physical and chemical processes arising at the interface between gas and solid phases of matter. The understanding of these elementary reactive and non-reactive processes is crucial in many energy- and environmental-related applications, including heterogeneous catalysis, electrochemistry, hydrogen storage, and fusion reactors. The activity of the “Gas/Solid Interfaces” group relies on the development of new methodologies as well as on the use of first-principles electronic structure calculations to describe the interaction dynamics in such complex systems. Particular attention is paid to the development of theoretical models able to describe the non-adiabatic contributions and the energy dissipation channels that come into play, because they can drastically change the output of the dynamics. Current research in the group also includes methodological advance in the simulation and analysis of photo-induced adsorbate dynamics and reactions, as well as the use of machine learning strategies specifically adapted to study the gas/solid interface dynamics.
QUANTUM PHENOMENA ON SURFACES
The group studies theoretically and experimentally exotic phenoma taking place on solid surfaces. These phenomena range from the creation of Majorana fermions, to the study of skyrmions or the creation of entangled states among many studies. Model Hamiltonians are interfaced to ab-initio calculations and the physics is explored with the aim of learning about the systems to understand phenomena and eventually predict them. Experimentally, the scanning tunneling microscope allows us to have atomic control on the studied systems and create structures that can show Majorana fermions on superconductors or display entangled atoms in the Kondo effect of spin chains, for example.
NANOPHYSICS LABORATORY
“Nanophysics Laboratory”, devoted to the experimental characterization of surfaces, low-dimensional systems, and novel nanostructured materiales prepared using a surface science approach and studied using scanning tunnelling (STM), atomic force microscopy (AFM), several photoemission (XPS, ARPES, UPS) and absorption (NEXAFS) techniques, among others. The laboratory aims to provide the complete structural and electronic characterization of nanostructured systems with atomic resolution. Special attention is given to self-assembled nanostructures like stepped surfaces and supramolecular assemblies. It is also worth to mention activity on curved crystals that has given rise to the development of a spin-off company, namely “Bihurcrystal“.
MODELISATION AND SIMULATION
The activity of the “Modelisation and Simulation” group focuses on the theoretical study of the electronic and structural properties of complex materials, clean and decorated surfaces, and nanostructures. It pursues the following objectives: (i) to develop the basic theory and ab-initio simulation tools in order to study the behavior of different nanoelectronic devices, particularly those based on graphene derivatives, (ii) to study the optical properties of complex organic/inorganic interfaces, (iii) to study the magnetic properties of different nanostructures, ranging from one dimensional systems to coordination networks and multilayer heterostructures at surfaces, and (iv) to continue to foster the development of the SIESTA code. Most of the research activity of this group is performed in close collaboration with other experimental and theoretical groups at CFM, and also with groups from other research centers in the Basque Country.
SPECTROSCOPY AT THE ATOMIC SCALE
“Spectroscopy at the atomic scale” group, devoted to structural and spectroscopical investigations at the local scale, based on scanning tunneling techniques. Electronic, vibrational, and transport properties at surfaces are addressed. The group’s main tool for studying nanostructures at the atomic scale is low temperature scanning probe microscopy. Local properties of nanoscale objects and surfaces are thus probed in ultra-high vacuum and at temperatures down to 1K.
MESOSCOPIC PHYSICS
The Mesoscopic Physics group activity focuses on the theoretical aspects of quantum transport in nanostructures and mesoscopic systems. The main research covers various materials and structures, including metals, ferromagnets, semiconductors, superconductors, low dimensional systems, and topological matter. In addition to the theoretical activity, the group has a large network of experimental collaborators. In the past years, particular emphasis is placed on the following research objectives: (i) To develop theoretical tools for studying spin-dependent transport in hybrid systems with spin-orbit coupling, exchange fields, and superconductivity; (ii)To analyze the electronic heat transport at the nanoscale; (ii) To explore the possibility of using superconducting materials for sensing and detection; (iv) To design electronic and spintronics devices with new functionalities.
NANO-BIO SPECTROSCOPY
“Nano-bio Spectroscopy” group focuses on the theory and modelling of electronic and structural properties in condensed matter and on developing novel theoretical tools and computational codes to investigate the electronic response of solids and nanostructures to external electromagnetic fields. Present research activities include new developments within many-body theory and TDDFT. The theoretical description of optical spectroscopy, time-resolved spectroscopies, STM/STS and XAFS is also addressed. Methodological developments include novel techniques to calculate total energies and assessment and development of exchange-correlation functionals for TDDFT calculations and improvements on transport theory within the real-time TDDFT formalism.
SOUZA RESEARCH GROUP
“Souza’s research” group activity is focused on condensed-matter theory, using computational techniques to study the properties of materials from first principles. The group’s work often involves the development of new theoretical approaches and algorithms, and their application to problems of current interest, including methods to study insulators in finite electric field, as well as to construct localized Wannier orbitals for metals. Phenomena which arise from the interplay between the collective magnetic order in solids and the spin-orbit interaction inside the constituent atoms have been recently addressed as well.
CERAMIC AND CEMENT-BASED MATERIALS
Combining knowledge from different disciplines like solid-state physics, soft-matter physics, geochemistry and chemical engineering, the “Ceramic and Cement-based Materials” group focuses on the computational design and synthesis of new ceramic and cement based materials with lower CO2 fingerprint. Among its different lines of research, they are worth mentioning:
- The use of atomistic and colloidal simulations to study the structure and properties of materials
- The implementation of new hydrothermal and supercritical fluids (SCF) technologies for the ultra-fast synthesis of ceramic nanoparticles
- The development of new sintering methodologies through the use of autoclaves or microwaves that allow notable energy saving and a drastic reduction of CO2 emissions
- Development of energy storage solutions based on cement-based materials, including both chemical storage (batteries) and thermal storage systems (TES) applications.
THEORY OF ELECTRONIC AND OPTICAL EXCITATIONS IN SOLIDS
The group’s research focuses on material properties of current interest, including (but not limited to) nonlinear optical response of semiconductors, collective electronic excitations, and magnetic behavior of low-dimensional systems like single adatoms. For the first-principles characterization of these systems we generally make use of state-of-the-art software packages that implement the density functional theory. For the analysis of the more exotic properties we develop our own algorithms and theoretical approaches, which often make use of k-dot-p and tight-binding models.
THEORY OF NANOPHOTONICS
The activity of the “Theory of Nanophotonics” group is devoted to the theoretical study of the interaction between electromagnetic radiation and nanostructured materials. The research activity of the group focuses on the theoretical study of the excitation of plasmons, quantum dots and dielectric nanostructures in the context of a variety of microscopy and spectroscopy configurations: Dark Field Microscopy (DFM), scattering-type Scanning Near-Field Optical Microscopy (s-SNOM), Electron Energy Loss Spectroscopy (EELS), Scanning Tunneling Microscopy (STM), Surface-Enhanced Raman Scattering (SERS), Surface-Enhanced Infrared Absorption (SEIRA) and Surface-Enhanced Fluorescence (SEF), among others.
In recent years, the following specific objectives have been addressed by this group: (i) understanding and characterization of the collective excitations of the electron gas, plasmons, in a variety of spectroscopy and microscopy techniques, (ii) study of metallic nanostructures as electromagnetic field enhancers and localizers, (iii) development of protocols and models to better interpret and describe the images obtained by the scattering-type near-field optical microscope, (iv) study and exploitation of the interaction of fast electrons and matter to develop new paradigms of spectroscopy in the nanoscale, (v) description of quantum effects derived from the coherent nature of the electrons that constitute a plasmonic excitation, (vi) study of the magnetic activity of dielectric nanostructures at optical frequencies, (vii) characterization of the dynamics and the coupling of emitters to be used in quantum information technology, and (viii) address non-linearities and collective effects in molecular optomechanics.
NANOMATERIALS AND SPECTROSCOPY
“Nanomaterials and Spectroscopy” group is focused on spectroscopy and photonic applications of nano-scale functional units, including semiconductor quantum dots and quantum wires, metal nanoparticles and nanoantennas and organic/inorganic nano-hybrid systems. Further research activity in the group includes the study of optical properties in semiconductor nanocrystals (quantum dots), nano-hybrid materials, heterostuctures (quantum wires), metal nanoparticles, nanoantenas and organic functional materials (J-aggregates), as well as novel experimental approaches to control, manipulate and probe with light on nanoscale.
LASER SPECTROSCOPY AND PHOTONIC MATERIALS
The “Laser Spectroscopy and Photonic Materials” group is located in the Department of Applied Physics of the School of Engineering of the University of the Basque Country (UPV/EHU) in Bilbao, and devotes most of its research efforts to the optoelectronic properties of new materials and structures for solid state lasing and photonic crystal properties. Its activity also covers the development of a complete set of high resolution techniques, the development of new low-energy phonons rare earth-doped dielectric materials for energy converters and/or solid state laser cooling applications, and the probing, characterizing, and modeling transport and/or confinement of ultrafast ultra-intense laser light in inhomogeneous (nano- micro) dielectric materials doped with optically active centers for nanosensors, displays, and bioimaging applications.
QUANTUM NANOPHOTONICS LABORATORY
The research program of the “Quantum Nanophotonics Laboratory” group aims at contributing to the development of hybrid quantum devices based on the interaction of light and matter at the nanoscale.
The Centre for Materials Physics seeks to exploit the potential and expertise of the theory groups on quantum states, and complement it with the experimental effort by this new group that can approach this topic from an applied and technological point of view.
POLYMERS AND SOFT MATTER
The general scientific objective of the activity program of this group is to achieve a fundamental understanding of the interplay between structure and dynamics at different length and time scales (micro, nano, meso, macro) in materials of increasing complexity based on polymers, glass-forming liquids and soft matter, in particular: polymers with different architectures, single-chain polymer nano-particles, multi-component, nano-structured and biopolymer systems. These materials exhibit complex dynamics and rheology and, in many cases, show hierarchical relaxations over many different length- and time-scales, which need to be unravelled. This in turn affects the processing and properties of the final materials. In order to rationally design appropriate materials and processes for various technological applications, a rigorous knowledge of the interplay between structure and dynamics at different length and time scales is demanded.
Taking inspirations from classical polymer physics, soft matter physics and the physics of condensed matter, the Polymers and Soft Matter group has developed over last years a robust and pioneering methodology to carry on this program. This methodology is based on the combination of different experimental relaxation techniques with neutron, XR and light scattering methods, molecular dynamics simulations and chemical synthesis oriented to polymers. The organization of the group is in fact driven by this methodology and the staff of the group (scientists belonging to the CSIC, the UPV/EHU and Ikerbasque) is composed by experts in different techniques/methods, all of them being involved in the scientific objectives defined at any time.
QUANTUM BEAMS AND COMPUTATION FOR SUSTAINABLE MATERIALS
The “Quantum Beams and Computation for Sustainable Materials” group uses an multi-pronged approach involving quantum beams, theory and simulation to interrogate and understand the structure and properties of sustainable novel functional materials for energy applications, nanoelectronics and lighting.