In this paper, we present a tight-binding model based on DFT calculations for investigation the electronic and optical properties of monolayer Germanene. The thermal properties are …
R Chegel - Journal of Alloys and Compounds, 2023 - Elsevier
DFT-based tight binding theory calculations and the Kubo conductivity formula were used to investigate the thermopower properties of 2D SiC with different impurity concentrations and …
R Chegel - Diamond and Related Materials, 2023 - Elsevier
Pure graphene is limited by its gapless energy band structure in catalytic reactions that are important for energy conversion applications. However, impurities can create a band gap …
In this paper, we used tight-binding model to calculate the thermal properties of tetragonal silicene (T-Si). T-Si has a zero band gap with two Dirac points and linear dispersion around …
T Tsafack, BI Yakobson - Physical Review B, 2016 - APS
Using density functional theory calculations (both perturbed and unperturbed) as well as thermodynamic and ballistic transport equations, what follows investigates thermal and …
S Behzad - Materials Science and Engineering: B, 2025 - Elsevier
This study investigates the electronic, thermoelectric, and transport properties of Germanene nanotubes (GeNTs) using a tight-binding calculations and explores their potential …
The behaviors electronic structure and density of states (DOS) of biased AB bilayer boron phosphide (BP) with two configuration types (Btriple bondP and Btriple bondB) investigated …
R Chegel - Physica B: Condensed Matter, 2022 - Elsevier
The thermoelectric properties of two-dimensional (2-D) GeC investigated with the next nearest tight binding model in the presence of the vertical magnetic field and the results are …
S Behzad, R Chegel - Journal of Alloys and Compounds, 2019 - Elsevier
Using the tight-binding method based on density functional theory (DFT) calculations, the thermoelectric properties of pure and B/N doped carbon nanotubes (CNTs) are investigated …