Research line 1
New ab initio methods
Vibrational properties are crucial to describe the structural, thermodynamic, and transport properties of materials. The standard harmonic approximation assumes that ions in solids are placed at […]
Research
We use first-principles quantum mechanical methods to understand and predict the properties of materials.
Our group is affiliated to the Department of Applied Physics and Materials Physics Center of the University of the Basque Country (UPV/EHU).
In order to overcome the limitations imposed by standard approximations, we develop new theoretical methods that give us the possibility of approaching problems in physics from a novel and advanced perspective. We apply our methods to characterize and predict hydrogen-based high-temperature superconductors, to study charge-density wave and ferroelectric phase transitions, and understand the interaction of light with lattice vibrations.
We study these research lines
Research line 2
Hydrogen-based superconductors
Since the 2015 experimental discovery of superconductivity above 200 K at high pressures, it is clear that hydrogen-based compounds can be high-temperature superconductors, at least at […]
Research line 3
Phase transitions in functional materials
Understanding the structural phase transitions of solids and their impact on physical properties is one of the most important tasks in physics. Many functional materials, like […]
Research line 4
Phonon polaritons
Controlling light down to the nanoscale is a huge challenge, especially because the wavelength of exceeds by orders of magnitude the interatomic distances. Phonon polaritons, the […]
Latest publications
Quantum structural fluxion in superconducting lanthanum polyhydride
Hui Wang, Pascal T. Salzbrenner, Ion Errea, Feng Peng, Ziheng Lu, Hanyu Liu, Li Zhu, Chris J. Pickard and Yansun Yao
Nature Communications 14, 1674 (2023)
Anharmonicity Reveals the Tunability of the Charge Density Wave Orders in Monolayer VSe2
Adolfo Otero Fumega, Josu Diego, Victor Pardo, S. Blanco-Canosa and Ion Errea
Nano Letters 23, 1794 (2023)
Ab initio study of metastable occupation of tetrahedral sites in palladium hydrides and its impact on superconductivity
Antonella Meninno and Ion Errea
Physical Review B 107, 024504 (2023)