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SUMMARY:Exciton-Phonon Coupling in Emerging Materials: Ab Initio Approache
 s and Recent Advances - Jonah Haber\, Stanford University
DTSTART:20250519T133000Z
DTEND:20250519T140000Z
UID:TALK232078@talks.cam.ac.uk
CONTACT:Dr Sun-Woo Kim
DESCRIPTION:Excitons -- correlated electron-hole pairs generated upon phot
 oexcitation -- provide a fundamental framework for describing the low-ener
 gy optical excitations in semiconductors and insulators. With continued ad
 vances in powerful spectroscopic techniques\, we are increasingly able to 
 probe how excitons interact with their environment\, especially their coup
 ling to lattice vibrations.\n\nIn this seminar\, I will present our recent
  efforts to develop and apply ab-initio methods\, grounded in many-body pe
 rturbation theory\, to study exciton-phonon interactions in emerging mater
 ials such as 2D transition metal dichalcogenides. Modeling exciton-phonon 
 interactions in complex materials is challenging due to the delocalized ch
 aracter of exciton states and the concurrent entanglement of their exciton
  bandstructure. To address this\, I will introduce our recent work on maxi
 mally localized exciton Wannier functions (MLXWFs). This new formalism pro
 vides a compact\, real-space representation of exciton states\, offering  
 insights into exciton band dispersion and topology and paving the way for 
 scalable modeling of exciton dynamics. \n\nI will demonstrate the utility 
 of this framework through a case study on phonon-driven exciton transport 
 in organic semiconductors\, with a particular focus on the polaronic regim
 e\, where excitons are trapped by ionic distortions and diffusion occurs v
 ia thermally activated hopping. I will conclude with a forward-looking per
 spective on the wide-ranging potential of MLXWFs\, highlighting their appl
 icability beyond exciton–phonon interactions to a spectrum of challenges
  in excitonics.\n
LOCATION:Small Lecture Theatre\, Ray Dolby Centre and on Zoom: https://zoo
 m.us/j/92447982065?pwd=RkhaYkM5VTZPZ3pYSHptUXlRSkppQT09
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