https://libeldoc.bsuir.by/handle/123456789/46484| Title: | Curvature-induced effects in semiconducting alkaline-earth metal silicide nanotubes |
| Authors: | Alekseev, A. Yu. Migas, D. B. Filonov, A. B. Chernykh, A. G. Borisenko, V. E. Skorodumova, N. V. |
| Keywords: | публикации ученых;Curvature-induced effects;nanotube transformation;Band dispersion;Stabilization of metastable phase |
| Issue Date: | 2021 |
| Publisher: | Elsevier |
| Citation: | Curvature-induced effects in semiconducting alkaline-earth metal silicide nanotubes / A. Yu. Alekseev [et al.] // Physica E: Low-dimensional systems and nanostructures. – 2021. – Vol. 128, № 8. – P. 114582. – DOI:10.1016/j.physe.2020.114582. |
| Abstract: | By means of ab-initio techniques we have investigated changes in the structure and electronic properties of alkaline-earth metal silicide (Ca2Si, Mg2Si and MgCaSi) nanotubes caused by the curvature-induced effects. It is revealed that the curvature-induced effects can: 1) stabilize Mg2Si nanotubes in a phase, which is metastable for the parent 2D Mg2Si; 2) lead to an energy gain as a result of 2D to nanotube structural transformation in the case of ternary MgCaSi nanotubes; 3) modify the band dispersion and band gaps for nanotubes with the diameters less than 30 Å. In addition, Mg2Si and MgCaSi nanotubes are found to be direct band-gap (0.5–1.2 eV) materials with appreciable oscillator strength of the first direct transitions. |
| URI: | https://libeldoc.bsuir.by/handle/123456789/46484 |
| Appears in Collections: | Публикации в зарубежных изданиях |
| File | Description | Size | Format | |
|---|---|---|---|---|
| Alekseev_Curvature.pdf | 47.52 kB | Adobe PDF | View/Open |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.