DFT Study of Structural and Electronic Properties of Rubidium Germanium Chloride (RbGeCl3)
This work aims to test the structural, electronic properties of RbGeCl3. The physical properties of the RbGeCl3 crystal are investigated using the generalized gradient approximation (GGA) using density functional theory (DFT). RbGeCl3 is in the cubic phase. The calculated band gap of RbGeCl3 is 1.03eV. The band structures are further evaluated by the total density of state (TDOS). The total density of states confirms the degree of electron localization. We studied electronic band structure and electronic density of states. The calculated electronic band structure shows that RbGeCl3 has a direct band gap.
Authors
- Saima Naseem
- Muhammad Salman
- Asima Naseem
- Shayan Ul Abidin
- Hassan Masood
- Muqadas Parveen
Institutions
- COMSATS University Islamabad (PK)
- University of the Punjab (PK)
- Ghazi University (PK)
- Institute of Management Sciences Peshawar (PK)
- Taiyuan University of Science and Technology (CN)
Publication Details
- Journal
- European Journal of Applied Science Engineering and Technology
- Published
- 2025-07-19
- DOI
- https://doi.org/10.59324/ejaset.2025.3(4).06
- Citations
- 1
- Primary Topic
- Perovskite Materials and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.73