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SUMMARY:Exciton-phonon interaction in semiconductors: theory\, coding and 
 applications - Dr Fulvio Paleari (CNR Istituto Nanoscienze\, Modena)
DTSTART:20251105T140000Z
DTEND:20251105T153000Z
UID:TALK237940@talks.cam.ac.uk
CONTACT:Bo Peng
DESCRIPTION:The problem of exciton-phonon interaction in crystals concerns
  the simultaneous description of the interaction of excited electron-hole 
 pairs both with themselves and with lattice vibrations. It has become incr
 easingly relevant to both experimental and theoretical research. It is inv
 oked\, for example\, to explain fine structures in optical absorption and 
 luminescence spectra of low-dimensional semiconductors\, to model the widt
 h of excitonic spectral peaks\, and to explain the out-of-equilibrium carr
 ier dynamics in ultrafast spectroscopy in terms of lifetimes and intervall
 ey scatterings.\nI will first briefly introduce the concepts of phonons an
 d excitons from a many-body point of view and in the context of ab initio\
 , first-principles simulations.\nThen\, starting from the static Bethe-Sal
 peter equation (BSE) - which is the state-of-the-art tool to compute excit
 ons - I will present the theoretical approach to obtain spectroscopic obse
 rvables including a microscopic description of exciton-phonon interactions
 \, with a particular focus on the role of electronic screening.\nI will th
 en discuss the computational implementation of a workflow for efficient ex
 citon-phonon calculations – as recently implemented in the Yambo code 
 – obtained by exploiting symmetry operations on exciton wavefunctions an
 d electron-phonon matrix elements in momentum space.\nFinally\, I will ill
 ustrate applications of this methodology for the characterization of relev
 ant layered and 2D materials\, including phonon-assisted satellites appear
 ing in the luminescence spectra of boron nitride\, as well as scattering a
 mplitudes and Raman spectra in monolayer transition metal dichalcogenides.
LOCATION:Seminar Room 3\, RDC
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