The Influence of Potassium Substitution on the Structural and Electronic Properties of Na<sub>2</sub>S: <i>Ab Initio</i> Analysis
This paper presents the study of the influence of potassium substitution on the structural and electronic properties of Na2S using the density functional theory methodology implemented in the Quantum ESPRESSO package. The focus is on the analysis of the structural stability and changes in the density of electronic states distribution due to the introduction of potassium. The results indicate that the presence of potassium in the Na2S lattice can lead to significant changes in both the structural and electronic properties of the material, affecting its conductivity and potential applications in energy storage devices.
Authors
- Sławomir Berski (ORCID: https://orcid.org/0000-0002-0431-9305)
- K. Gruszka (ORCID: https://orcid.org/0000-0002-6666-1800)
Institutions
- Częstochowa University of Technology (PL)
Publication Details
- Journal
- Acta Physica Polonica A
- Published
- 2025-03-01
- DOI
- https://doi.org/10.12693/aphyspola.147.229
- Primary Topic
- Chalcogenide Semiconductor Thin Films
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Infrastruktura PL-Grid