Binding energy and ionic conductivity in copper and silver chalcogenides Ag2-δCuδX (X = S, Se, Te)
Authors
Davletshina Alisa Danisovna
Ufa University of Science and Technology
Yakshibaev Robert Asgatovich
Ufa University of Science and Technology
Keywords:
binding energy, ionic conductivity, chalcogenides
Abstract
In this paper, calculations of the binding energy in copper and silver chalcogenides Ag2-δCuδX (X = S, Se, Te) were performed using the BIOVIA Materials Studio DMol3 software package. It was found that one of the factors affecting the ionic conductivity is the binding energy. With anionic substitution of Te-Se-S in Ag2-δCuδX compounds, the binding energy decreases, which promotes the transition of cations to a mobile state and, accordingly, leads to an increase in ionic conductivity.
DOI: 10.33184/bulletin-bsu-2025.4.6
Author Biographies
Davletshina Alisa Danisovna, Ufa University of Science and Technology
Candidate of Physical and Mathematical Sciences, Assistant Professor of the Department of General Physics, Ufa University of Science and Technology
Yakshibaev Robert Asgatovich, Ufa University of Science and Technology
Doctor of Physical and Mathematical Sciences, Professor, Professor of the Department of General Physics, Ufa University of Science and Technology
