BEGIN:VCALENDAR
VERSION:2.0
PRODID:Linklings LLC
BEGIN:VTIMEZONE
TZID:Europe/Stockholm
X-LIC-LOCATION:Europe/Stockholm
BEGIN:DAYLIGHT
TZOFFSETFROM:+0100
TZOFFSETTO:+0200
TZNAME:CEST
DTSTART:19700308T020000
RRULE:FREQ=YEARLY;BYMONTH=3;BYDAY=-1SU
END:DAYLIGHT
BEGIN:STANDARD
TZOFFSETFROM:+0200
TZOFFSETTO:+0100
TZNAME:CET
DTSTART:19701101T020000
RRULE:FREQ=YEARLY;BYMONTH=10;BYDAY=-1SU
END:STANDARD
END:VTIMEZONE
BEGIN:VEVENT
DTSTAMP:20220812T074334Z
LOCATION:Nairobi Room
DTSTART;TZID=Europe/Stockholm:20220627T140000
DTEND;TZID=Europe/Stockholm:20220627T143000
UID:submissions.pasc-conference.org_PASC22_sess115_msa160@linklings.com
SUMMARY:Excitons in 2D/Layered Materials by DFT plus MBPT Methods
DESCRIPTION:Minisymposium\n\nExcitons in 2D/Layered Materials by DFT plus 
 MBPT Methods\n\nPalummo\n\nThe use of emerging two-dimensional and layered
  materials in technological applications presupposes a detailed knowledge 
 of their chemical and physical properties. In this context ab-initio theor
 etical methods and simulations are playing a fundamental role. Here I aim 
 to show how the use of parameter-free atomistic simulations can contribute
  to improve the microscopic understanding of the opto-electronic propertie
 s of novel 2D materials and to predict new ones. I will show how ab-initio
  DFT and post-DFT (GW and BSE) calculations, based on Many-Body Perturbati
 on Theory (MBPT), provide a very useful scheme to study i) the giant elect
 ronic band-gaps renormalization ii) the strong light-matter interaction ii
 i) the presence of strongly bound excitons, iv) the exciton radiative life
 times v) the influence of electron-phonon interaction on the electronic an
 d optical spectra, vi) how their opto-electronic properties can be tuned b
 y external pertubations Among the families of 2D materials discovered afte
 r graphene, I will focus on those of particular interest for opto-electron
 ic applications such group-VI Transition Metal Dichalcogenides (TMDs) and 
 2D/layered halide perovskites. Excitons of a recently proposed MoSi2X4 fam
 ily will be also discussed.\n\nDomain: Chemistry and Materials
END:VEVENT
END:VCALENDAR