Electronic and optical properties of layered Van der Waals heterostructures based on blue phosphorus and zinc oxide

Mikhail M. Slepchenkov; Kirill R. Asanov; Dmitry A. Kolosov; Olga E. Glukhova

doi:10.1117/12.2626395

29 April 2022 Electronic and optical properties of layered Van der Waals heterostructures based on blue phosphorus and zinc oxide

Mikhail M. Slepchenkov, Kirill R. Asanov, Dmitry A. Kolosov, Olga E. Glukhova

Author Affiliations +

Proceedings Volume 12193, Laser Physics, Photonic Technologies, and Molecular Modeling; 121930G (2022) https://doi.org/10.1117/12.2626395
Event: XXV Annual Conference Saratov Fall Meeting 2021; and IX Symposium on Optics and Biophotonics, 2021, Saratov, Russian Federation

Abstract

The creation of van der Waals heterostructures with tunable properties from various combinations of modern 2D materials is one of the promising tasks of nanoelectronics, focused on improving the parameters of electronic nanodevices. This paper is devoted to the theoretical prediction of new configuration of van der Waals heterostructures based on semiconductor 2D materials - blue phosphorus and zinc oxide. Using ab initio methods, we theoretically predict the existence of new three-layer van der Waals zinc oxide/blue phosphorus/zinc oxide (ZnO/BlueP/ZnO) heterostructure with AAA, ABA, ABC layer packing types. It is found that AAA-, ABA-, and ABC-stacked ZnO/BlueP/ZnO heterostructures are semiconductors with a gap of about 0.7 eV. The dynamic conductivity spectra are calculated in the wavelength range of 200–2000 nm. On the basis of the calculation results, the regularities of the formation of the profile the dynamic conductivity spectrum of the ZnO/BlueP/ZnO heterostructure under study are revealed.

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Mikhail M. Slepchenkov, Kirill R. Asanov, Dmitry A. Kolosov, and Olga E. Glukhova "Electronic and optical properties of layered Van der Waals heterostructures based on blue phosphorus and zinc oxide", Proc. SPIE 12193, Laser Physics, Photonic Technologies, and Molecular Modeling, 121930G (29 April 2022); https://doi.org/10.1117/12.2626395

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