August 28, 2022 to September 1, 2022
Serbian Academy of Sciences and Arts – SASA
Europe/Belgrade timezone

Computational study of lead selenide doped with group IIIA elements

S06-CMPSP-230
Aug 30, 2022, 6:00 PM
1h 30m
Restaurant (Serbian Academy of Sciences and Arts)

Restaurant

Serbian Academy of Sciences and Arts

Board: S06-CMPSP-230
Poster presentation S06 Condensed Matter Physics and Statistical Physics Poster session

Speaker

Elvira Toth (Department of Physics, Faculty of Science, University of Novi Sad)

Description

Lead selenide (PbSe) is a semiconductor of the cubic structure whose bandgap is 0,27 eV. It belongs to a group of essential materials for developing uncooled mid-IR detectors. This material also proved to be an excellent thermoelectric, offering a few advantages compared to other materials. It is also worth mentioning that doping can readily modify its properties. In this work, we have studied the structural and electronic properties of PbSe doped with IIIA group elements. Applying density functional theory calculations, we have investigated how the introduction of mentioned elements into the structure of PbSe influences characteristic bond lengths and cell parameters, band structure and density of states. Charge distribution of doped PbSe was also under consideration through calculations of electron density difference, while effective screening medium calculations were performed to understand the properties of PbSe surface upon incorporating mentioned elements.

Primary author

Elvira Toth (Department of Physics, Faculty of Science, University of Novi Sad)

Co-authors

Siljegovic Mirjana (Department of Physics, Faculty of Science, University of Novi Sad) Jovana Stanojev (BioSense Institute, University of Novi Sad) Branimir Bajac (BioSense Institute, University of Novi Sad) Stevan Armakovic (Department of Physics, Faculty of Science, University of Novi Sad) Željka Cvejić (Department of Physics, Faculty of Science, University of Novi Sad)

Presentation materials