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SUMMARY:From lattice dynamics to heat transport: Ab initio studies of β-F
 eSi2
DTSTART:20260602T090000Z
DTEND:20260602T100000Z
DTSTAMP:20260617T173300Z
UID:indico-event-1619@indico.ifj.edu.pl
DESCRIPTION:Speakers: Svitlana Pastukh (Instytut Fizyki Jądrowej  Polskie
 j Akademii Nauk)\n\nUnderstanding how atomic vibrations determine heat tra
 nsport is essential for the development of modern semiconductor and thermo
 electric materials. Using advanced ab initio methods\, lattice dynamics\, 
 phonon interactions\, and thermal transport properties of β-FeSi₂ are i
 nvestigated across a wide temperature range. Particular attention is devot
 ed to anharmonic effects and their impact on vibrational properties\, Rama
 n spectra\, and lattice thermal conductivity.The study demonstrates that s
 trong anharmonic renormalization of selected optical phonon modes is cruci
 al for reproducing experimentally observed Raman linewidths and their temp
 erature dependence. In addition\, the relationship between crystal structu
 re\, phonon scattering\, and anisotropic heat transport is analyzed. The o
 btained results provide microscopic insight into the mechanisms governing 
 thermal transport in complex materials and show good agreement with availa
 ble experimental data.\n\nhttps://indico.ifj.edu.pl/event/1619/
LOCATION:room 4003\, hybrid (IFJ PAN)
URL:https://indico.ifj.edu.pl/event/1619/
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