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 and polarons
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
First-order phase transition driven by competing charge-order fluctuations in 1T’-TaTe2
S. K. Mahatha, Arunava Kar, J. Corral-Sertal, Josu Diego, A. Korshunov, Chan-young Lim, F. Diekmann, D. Subires, J. Phillips, Timur K. Kim, Daisuke Ishikawa, Giovanni Marini, I. Vobornik, Ion Errea, S. Rohlf, M. Kalläne, V. Bellini, Alfred Q. R. Baron, Adolfo Otero Fumega, Alexey Bosak, Victor Pardo, K. Rossnagel and S. Blanco-Canosa
Physical Review B 114, 065120 (2026)
Directionally Locked Heteroepitaxy with a Structurally Modulated van der Waals Material
Nitish Mathur, Guangming Cheng, Francesc Ballester, Gabrielle Carrel, Vincent M. Plisson, Fang Yuan, Jiangchang Zheng, Caiyun Chen, Scott B. Lee, Ratnadwip Singha, Sudipta Chatterjee, Kenji Watanabe, Takashi Taniguchi, Kenneth S. Burch, Berthold Jäck, Ion Errea, Maia G. Vergniory, Nan Yao, Sanfeng Wu and Leslie M. Schoop
ACS Nano https://doi.org/10.1021/acsnano.6c04146 (2026)
Superconductivity in RbH12 at low pressures: An ab initio study
Đorđe Dangić, Manex Alkorta, Yue-Wen Fang and Ion Errea
SciPost Physics 20, 170 (2026)