Speaker
Ion Errea
(University of the Basque Country)
Description
In this talk I will discuss that often the standard treatment of lattice dynamics in the harmonic approximation breaks down and a non-perturbative treatment of anharmonicity is needed to describe the ionic fluctuations of the system. This occurs for instance in systems close to second-order displacive phase transitions, like ferroelectric or charge-density wave transitions, or in materials with large electron-phonon coupling and light atoms, like superconducting hydrides. I will show how the stochastic self-consistent harmonic approximation (SSCHA) method can be used for dealing effectively with this situation. I will describe as well some applications to have high-T$_c$ hydrides like LaH$_{10}$.
Primary author
Ion Errea
(University of the Basque Country)
