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Two-dimensional (2D) Janus-type materials XMoSiN2 (X = S, Se or Te) are characterized by high values of binding energy and strong built-it field allowing the separation of generated electron-hole pairs within a single layer. These 2D materials are promising for photovoltaic applications. In this work, nanotubes of small diameters based on 2D Janus-type materials SMoSiN2, constructed and optimized, are considered in the framework of modeling. Using density functional theory calculations, the band structures and optical absorption spectra of these nanotubes with different chalcogen arrangements have been obtained. For the considered structures, a wide region of absorption of short-wavelength radiation is observed under tube deformation ε = 12.46 %. XMoSiN2 Janus-type nanotubes act as semiconductors, the electronic and optical properties of which can be controlled by tube deformation.

Key words: 2D material SMoSiN2, nanotube, zone structure, optical absorption spectra
Published in: ELECTRONICS MATERIALS
Bibliography link: the work has been supported by the Ministry of Science and Higher Education of the Russian Federation (project FNRM-2022-0008).
Financial source: Morozova E. V., Timkaeva D. A. Nanotubes based on 2D Janus-type materials SMoSiN2 for applications in nanoelectronics. Proc. Univ. Electronics, 2023, vol. 28, no. 3, pp. 271–280. https://doi.org/ 10.24151/1561-5405-2023-28-3-271-280. – EDN: YUDZPB.

Ekaterina V. Morozova
Ulyanovsk State University, Ulyanovsk, Russia; SMС “Technological Centre”, Moscow, Russia

Diana A. Timkaeva
Ulyanovsk State University, Ulyanovsk, Russia; SMС “Technological Centre”, Moscow, Russia

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UDK: 539.23:535.343.9
Publication type: Scientific article
Source lang: Russian
DOI: 10.24151/1561-5405-2023-28-3-271-280
RISC id: YUDZPB

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