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

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 […]

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

Impact of ionic quantum fluctuations on the thermodynamic stability and superconductivity of LaBH8

Francesco Belli and Ion Errea
Physical Review B 106, 134509 (2022)

Switchable chiral transport in charge-ordered kagome metal CsV3Sb5

Chunyu Guo, Carsten Putzke, Sofia Konyzheva, Xiangwei Huang, Martin Gutierrez-Amigo, Ion Errea, Dong Chen, Maia G. Vergniory, Claudia Felser, Mark H. Fischer, Titus Neupert and Philip J. W. Moll
Nature 611, 461 (2022)

Three-dimensional Fermi surfaces from charge order in layered CsV3Sb5

Xiangwei Huang, Chunyu Guo, Carsten Putzke, Martin Gutierrez-Amigo, Yan Sun, Maia G. Vergniory, Ion Errea, Dong Chen, Claudia Felser and Philip J. W. Moll
Physical Review B 106, 064510 (2022)