[institut] Reminder: CSSPNM seminar: M. Houtput, Thursday Apr. 2, 12 h
Darko Tanaskovic
tanasko at ipb.ac.rs
Thu Apr 2 08:31:38 CEST 2026
Dear colleagues,
You are cordially invited to the Center for Solid State Physics and New
Materials seminar, which will be held on Thursday April 2 2026 at 12:00,
in the library reading room "Dr. Dragan Popović" of the Institute of
Physics Belgrade.
The talk, entitled "First principles theory of nonlinear long-range
electron-phonon interaction" will be given by Dr. Matthew Houtput,
University of Antwerp.
The abstract of the talk:
"When an electron moves through a solid, it can interact with the ions
in the lattice of the solid. These so-called electron-phonon
interactions are necessary to describe several important material
properties, such as the electrical conductivity and conventional
superconductivity. It is often sufficient to describe electron-phonon
interactions using the approximation of linear interaction, where one
only keeps the process where one electron interacts with one phonon.
However, this is no longer true in anharmonic materials with significant
electron-phonon interaction, such as quantum paraelectrics and halide
perovskites. Currently, the only available models for nonlinear
electron-phonon interaction are model Hamiltonians, written in terms of
phenomenological parameters. Here, we provide a microscopic
semi-analytical expression for the long-range dipole part of the
1-electron-2-phonon matrix element, which can be interfaced with first
principles techniques. We show that unlike for the long-range
1-electron-1-phonon interaction, the continuum approximation is not
sufficient and that the entire phonon dispersion must be considered. We
calculate an expression for the quasiparticle energies and show that
they can be written in terms of a 1-electron-2-phonon spectral function.
To demonstrate the method in practice, we calculate the
1-electron-2-phonon spectral function for LiF and CsPbI3 from first
principles, and we show that the nonlinear interaction contributes
significantly to the electron mobility of CsPbI3. The framework
presented here bridges the gap between model Hamiltonians and
first-principles calculations for the 1-electron-2-phonon interaction."
References:
[1] Matthew Houtput, Ingvar Zappacosta, Serghei Klimin, Samuel Poncé,
Jacques Tempere, Cesare Franchini, arxiv.org/abs/2603.10954
Best regards,
Darko Tanaskovic
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