[phys4phys] SCL & PolMoReMa Seminar: Nenad Vukmirović, Thursday 16 October, 14:00

[Veljko Jankovic]

Dear colleagues,

You are cordially invited to the seminar of the Scientific Computing 
Laboratory of the Center for the Study of Complex Systems and of the 
project Polaron Mobility in Model Systems and Real Materials 
(PolMoReMa). The seminar will be held on Thursday, 16 October 2025 at 
14:00 in the "Dragan Popović" lecture hall of the Institute of Physics 
Belgrade. The talk entitled

Grid-Free Evaluation of Phonon-Limited Electronic Relaxation Times and 
Transport Properties

will be given by Dr Nenad Vukmirović (Scientific Computing Laboratory, 
Institute of Physics Belgrade). The abstract of the talk:

This seminar is the first in the series of seminars by the members of 
the project PolMoReMa [1]. The goals and activities of the project will 
be briefly presented in the first part of the seminar. In the second 
part of the seminar, we will present our results on the development of 
methodology for efficient evaluation of phonon-limited electronic 
relaxation times and electrical transport properties in semiconducting 
materials. Namely, present calculations of electrical transport 
properties of materials require evaluations of electron-phonon coupling 
constants on dense predefined grids of electron and phonon momenta and 
performing the sums over these momenta [2, 3]. In this seminar, we 
present the methodology for calculation of carrier relaxation times and 
electrical transport properties without the use of a predefined grid 
[4]. The relaxation times are evaluated by integrating out the delta 
function that ensures energy conservation and performing an average over 
the angular components of phonon momentum. The charge carrier mobility 
is then evaluated as a sum over appropriately sampled electronic 
momenta. We illustrate our methodology by applying to the Fröhlich model 
and to a real semiconducting material ZnTe. We find that rather accurate 
results can be obtained with a modest number of electron and phonon 
momenta, on the order of one hundred each, regardless of the carrier 
effective mass.

This research is supported by the Science Fund of the Republic of 
Serbia, Grant No. 5468, Polaron Mobility in Model Systems and Real 
Materials – PolMoReMa.

[1] http://polmorema.ipb.ac.rs
[2] S. Poncé, W. Li, S. Reichardt and F. Giustino, Rep. Prog. Phys. 83, 
036501 (2020).
[3] N. Vukmirović, Phys. Rev. B 104, 085203 (2021).
[4] N. Vukmirović, Comput. Phys. Commun. 312, 109583 (2025).

Best regards,

Veljko

-- 
Veljko Jankovic
Associate Research Professor
E-mail:veljko at ipb.ac.rs
Web:http://www.scl.rs/veljko
Phone: +381 11 3713 105

Scientific Computing Laboratory
Center for the Study of Complex Systems

Institute of Physics Belgrade
National Institute of the Republic of Serbia
Pregrevica 118, 11080 Belgrade, Serbia
http://www.ipb.ac.rs/