Authors | I.V. Semkiv1 , H.A. Ilchuk1 , M. Pawłowski2, , N.Yu. Kashuba1 , N.T. Pokladok1, A.I. Kashuba1 |
Affiliations |
1Department of General Physics, Lviv Polytechnic National University, Lviv, Ukraine 2Faculty of Physics, Warsaw University of Technology, 00-662 Warsaw, Poland |
Е-mail | ihor.v.semkiv@lpnu.ua |
Issue | Volume 16, Year 2024, Number 4 |
Dates | Received 20 June 2024; revised manuscript received 14 August 2024; published online 27 August 2024 |
Citation | I.V. Semkiv, H.A. Ilchuk, et al., J. Nano- Electron. Phys. 16 No 4, 04036 (2024) |
DOI | https://doi.org/10.21272/jnep.16(4).04036 |
PACS Number(s) | 71.20. – b |
Keywords | Density functional theory (5) , Electron band structure, Effective mass (2) , Density of state (6) , Seebeck coefficient, Power factor. |
Annotation |
The β-Ag8GeSe6 crystallizes in the orthorhombic structure (Pma21 space group) at room temperature and is studied in the framework of density functional theory. The theoretical first-principle calculations of the electronic band structure, density of states, Seebeck coefficient, power factor, electrical conductivity and effective mass of the electron and hole of β-Ag8GeSe6 crystal are estimated by the generalized gradient approximation (GGA). A Perdew–Burke–Ernzerhof functional (PBE) was utilized. The effective mass of the electrons and holes was calculated based on the electronic band structure. Seebeck coefficient, power factor and electrical conductivity as functional temperature are studied and discussed. All obtained values at room temperature are compared with known experimental results. |
List of References |