QUANTUM-MECHANICAL MODELING OF THE ATOMIC AND ELECTRON STRUCTURE OF RE6SE8CL2 PHASES
The article describes the modeling of two-dimensional supermolecular materials using ab initio methods. It discusses the results of studies on the atomic and electronic structure of Re6Se8Cl2 in bulk and two-dimensional form. It analyzes the difference in the effective masses of electrons and holes between these two types of materials, which is important for transport in nanoelectronics.
Authors
- Andrey N. Chibisov (ORCID: https://orcid.org/0000-0002-5410-8661)
- Anurag Srivastava
- Darya Smotrova
Publication Details
- Published
- 2024-10-20
- DOI
- https://doi.org/10.29003/m4276.mmmsec-2024/117-122
- Primary Topic
- Inorganic Chemistry and Materials
- Type
- article
- Field-Weighted Citation Impact
- 0.00