Computer Simulation of the Electric Transport Properties of the FeSe Monolayer

D. Sergeyev; N. Zhanturina; L. Myasnikova; A.I. Popov; A. Duisenova; A. Istlyaup

doi:10.2478/lpts-2020-0029

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Computer Simulation of the Electric Transport Properties of the FeSe Monolayer

Latvian Journal of Physics and Technical Sciences

Volume 57 (2020): Issue 6 (December 2020)

By: D. Sergeyev, N. Zhanturina, L. Myasnikova, A.I. Popov, A. Duisenova and A. Istlyaup

Open Access

|Dec 2020

Abstract

The paper deals with the model research of electric transport characteristics of stressed and non-stressed FeSe monolayers. Transmission spectra, current-voltage characteristic (CVC) and differential conductivity spectra of two-dimensional FeSe nanostructure have been calculated within the framework of the density functional theory and non-equilibrium Green’s functions (DFT + NEGF). It has been shown that the electrophysical properties depend on the geometry of the sample, the substrate, and the lattice constant. On CVC of non-stressed sample in the range from −1.2 V to −1 and from 1.2 V to 1.4 V, a region of negative differential resistance (NDR) has been observed. NDR is at both signs of the applied voltage due to the symmetry of the nanostructure. d²I/dV² is used to determine the nature of the electron-phonon interaction and the features of quasiparticle tunnelling in stressed and non-stressed samples. The results obtained can be useful for calculating new elements of 2D nanoelectronics.

References

1. Kyeremateng, N.A., Brousse, T., & Pech, D. (2017). Microsupercapacitors as Miniaturized Energy-Storage Components for On-Chip Electronics. Nature Nanotechnology, 12, 7–15. DOI: 10.1038/nnano.2016.19627819693
Open DOI Search in Google Scholar Back to article
2. Kreisel, A., Hirschfeld, P.J., & Andersen, B.M. (2020). On the Remarkable Superconductivity of FeSe and its Close Cousins. Symmetry, 12 (9), 1402. DOI: 10.3390/sym12091402
Open DOI Search in Google Scholar Back to article
3. Liu, C., & Zou, K. (2020). Tuning Stoichiometry and its Impact on Superconductivity of Monolayer and Multilayer FeSe on SrTiO3. Physical Review B, 101 (14), 140502. DOI: 10.1103/PhysRevB.101.140502
Open DOI Search in Google Scholar Back to article
4. Chen, Y.H., Sun, Y., Ji, S.Y., Xiong, W., Pei, Z.C., & Wang, Z.W. (2020). Enhancement of Effective Masses of the Surface Polaron in FeSe Thin Film on SrTiO3 Substrate. Superlattices and Microstructures, 106573. DOI: 10.1016/j.spmi.2020.106573
Open DOI Search in Google Scholar Back to article
5. Kozlovskiy, A., Zhanbotin, A., Zdorovets, M., Manakova, I., Ozernoy, A., Kadyrzhanov, K., & Rusakov, V. (2015). Study of Ni/Fe Nanotube Properties. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 365, 663–667. DOI: 10.1016/j.nimb.2015.09.090
Open DOI Search in Google Scholar Back to article
6. Zdorovets, M.V., & Kozlovskiy, A.L. (2018). Argon Ion Irradiation Effect on Zn Nanotubes. Journal of Materials Science: Materials in Electronics, 29 (5), 3621–3630. DOI: 10.1007/s10854-017-8292-5
Open DOI Search in Google Scholar Back to article
7. Zdorovets, M.V., & Kozlovskiy, A.L. (2019). Investigation of Phase Transformations and Corrosion Resistance in Co/CoCo2O4 Nanowires and their Potential Use as a Basis for Lithium-Ion Batteries. Scientific Reports, 9 (1), 1–12. DOI: 10.1038/s41598-019-53368-y685118731719638
Open DOI Search in Google Scholar Back to article
8. Akilbekov, A., Akylbekova, A., Usseinov, A., Kozlovskyi, A., Baymukhanov, Z., Giniyatova, S., … & Dauletbekova, A. (2020). Ion Track Template Technique for Fabrication of ZnSe2O5 Nanocrystals. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 476, 10–13. DOI: 10.1016/j.nimb.2020.04.039
Open DOI Search in Google Scholar Back to article
9. Chen, C., Liu, C., Liu, Y., & Wang, J. (2020). Bosonic Mode and Impurity-Scattering in Monolayer Fe(Te,Se) High-Temperature Superconductors. Nano Letters, 20 (3), 2056–2061. DOI: 10.1021/acs.nanolett.0c0002832045257
Open DOI Search in Google Scholar Back to article
10. Isherwood, L.H., Worsley, R.E., Casiraghi, C., & Baidak, A. (2018). Alpha Particle Irradiation of Bulk and Exfoliated MoS2 and WS2 Membranes. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 435, 180–189. DOI: 10.1016/j.nimb.2018.01.018
Open DOI Search in Google Scholar Back to article
11. Qiao, M., Wang, T.J., Zhang, J., Liu, Y., Liu, P., & Wang, X.L. (2018). The Effect of Carbon-Ion Irradiation on Surface Microstructure and Photoluminescence Properties in Monolayer Tungsten Diselenide. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 435, 278–284. DOI: 10.1016/j.nimb.2018.01.003
Open DOI Search in Google Scholar Back to article
12. Sergeyev, D.M. (2018). Computer Simulation of Electrical Characteristics of a Graphene Cluster with Stone-Wales Defects. Journal of Nano and Electronic Physics, 10 (3), 03018. DOI: 10.21272/jnep.10(3).03018
Open DOI Search in Google Scholar Back to article
13. Dragoman, M.A., Dinescu, A., & Dragoman, D. (2019). 2D Materials Nanoelectronics: New Concepts, Fabrication, Characterization from Microwaves up to Optical Spectrum. Phys. Status Solidi A, 1800724. DOI: 10.1002/pssa.201800724
Open DOI Search in Google Scholar Back to article
14. Illarionov, Yu. Yu., Knobloch, T., Jech, M., Lanza, M., Akinwande, D., Vexler, M.I., … & Grasser, T. (2020). Insulators for 2D Nanoelectronics: the Gap to Bridge. Nature Communications, 11, 3385. DOI: 10.1038/s41467-020-16640-8734185432636377
Open DOI Search in Google Scholar Back to article
15. Sergeyev, D., & Zhanturina, N. (2019). Simulation of Electrical Characteristics of Switching Nanostructures “Pt-TiO-Pt” and “Pt-NiO-Pt” with Memory. Radioengineering, 28 (4), 714–720. DOI: 10.13164/re.2019.0714
Open DOI Search in Google Scholar Back to article
16. Liu, N., Bo, G., Liu, Y., Xu, X., Du, Y., & Dou, Sh. (2019). Recent Progress on Germanene and Functionalized Germanene: Preparation, Characterizations, Applications, and Challenges. Small, 15 (32), 1805147. DOI: 10.1002/smll.20180514730756479
Open DOI Search in Google Scholar Back to article
17. Huang, W.Q., Liu, Sh. R., Pen, H.Y., Li, X., & Huang, Z.M. (2020). Synthesis of New Silicene Structure and its Energy Band Properties. Chinese Physics B, 29, 084202. DOI: 10.1088/1674-1056/ab942c
Open DOI Search in Google Scholar Back to article
18. Kiraly, B., Liu, X., Wang, L., Zhang, Zh., Mannix, A.J., Fisher, B.L., … & Guisinger, N.P. (2019). Borophene Synthesis on Au(111). ACS Nano, 13 (4), 3816–3822. DOI: 10.1021/acsnano.8b0933930844248
Open DOI Search in Google Scholar Back to article
19. Sahoo, S.K., & Wei, K.H. (2019). A Perspective on Recent Advances in 2D Stanene Nanosheets. Advanced Materials Interfaces, 6 (18), 1900752. DOI: 10.1002/admi.201900752
Open DOI Search in Google Scholar Back to article
20. Pica, M., & D’Amato, R. (2020). Chemistry of Phosphorene: Synthesis, Functionalization and Biomedical Applications in an Update Review. Inorganics, 8 (4), 29. DOI: 10.3390/inorganics8040029
Open DOI Search in Google Scholar Back to article
21. Vergera, L., Xub, Ch., Natua, V., Cheng, H., Ren, W., & Barsouma, M.W. (2019). Overview of the Synthesis of MXenes and Other Ultrathin 2d Transition Metal Carbides and Nitrides. Current Opinions in Solid State and Materials Science, 23 (3), 149–163. DOI: 10.1016/j.cossms.2019.02.001
Open DOI Search in Google Scholar Back to article
22. Meng, Zh., Stolz, R.M., Mendecki, L., & Mirica, K.A. (2019). Electrically-Transduced Chemical Sensors Based on Two-Dimensional Nanomaterials. Chemical Reviews, 119, 478–598. DOI: 10.1021/acs.chemrev.8b00311
Open DOI Search in Google Scholar Back to article
23. Yu, J., Meng, L., Wu, J., & Li, Y. (2019). Correlation Effect on the Electronic Properties of Pair-Checkerboard AFM Monolayer FeSe: a First-Principles Study. Journal of Phyics: Condensed Matter, 31, 305502. DOI: 10.1088/1361-648X/ab1afb
Open DOI Search in Google Scholar Back to article
24. Koch, R.J., Konstantinova, T., Abeykoon, M., Wang, A., Petrovic, C., Zhu, Y., … & Billinge, L. (2019). Room Temperature Local Nematicity in FeSe Superconductor. Physical Review B 100, 020501. DOI: 10.1103/PhysRevB.100.020501
Open DOI Search in Google Scholar Back to article
25. Jandke, J. Yang, F., Hlobil, P., Engelhardt, T., Rau, D., Zakeri, K., … & Wulfhekel, W. (2019). Unconventional Pairing in Single FeSe Layers. Physical Review B 100, 020503(R). DOI: 10.1103/PhysRevB.100.020503
Open DOI Search in Google Scholar Back to article
26. Coh, S., Cohen, M.L., & Louie, S.G. (2015). Large Electron–Phonon Interactions from FeSe Phonons in a Monolayer. New Journal of Physics, 17, 073027. DOI: 10.1088/1367-2630/17/7/073027.
Open DOI Search in Google Scholar Back to article
27. Sergeyev, D. (2020) Single Electron Transistor Based on Endohedral Metallofullerenes Me@C60 (Me = Li, Na, K). Journal of Nano and Electronic Physics, 12 (3), 03017. DOI: 10.21272/jnep.12(3).03017
Open DOI Search in Google Scholar Back to article
28. Sergeyev, D.M. (2020). Specific Features of Electron Transport in a Molecular Nanodevice Containing a Nitroamine Redox Center, Technical Physics, 15 (4), 573–577. DOI: 10.1134/S1063784220040180
Open DOI Search in Google Scholar Back to article
29. Sergeyev, D.M., Myasnikova, L.N., & Shunkeyev, K.Sh. (2020). Computer Simulation of Spin Filtration Properties of Zigzag-Edged Octagraphene Nanoribbon Saturated with Hydrogen Atoms. Russian Physics Journal, 63, 303–310. DOI: 10.1007/s11182-020-02036-0
Open DOI Search in Google Scholar Back to article
30. Atomistix ToolKit. Manual Version. (2015). QuantumWise A/S, 1, 840.
Search in Google Scholar Back to article
31. Ryczko, K., Strubbe, D.A., & Tamblyn, I. (2019). Deep Learning and Density-Functional Theory. Physical Review A, 100, 022512. DOI: 10.1103/PhysRevA.100.022512
Open DOI Search in Google Scholar Back to article
32. Sergeyev, D. (2019). Computer Simulation of the Electrotransport Characteristics of the “Au – Bipyridine – Au” Nanocontact. Journal of Nano and Electronic Physics, 11 (4), 04023 DOI: 10.21272/jnep.11(4).04023
Open DOI Search in Google Scholar Back to article
33. Gurvitz, S. (2019). Generalized Landauer Formula for Time-Dependent Potentials and Noise-Induced Zero-Bias DC Current. Journal of Physics A: Mathematical and Theoretical, 52, 175301. DOI: 10.1088/1751-8121/ab10ed
Open DOI Search in Google Scholar Back to article
34. Esmaeili, M., Jafari, M., & Sanaeepur, M. (2020). Negative Differential Resistance in Nanoscale Heterostructures Based on Zigzag Graphene Nanoribbons Anti-Symmetrically Decorated with BN. Superlattices Microstructures, 145, 106584. DOI: 10.1016/j.spmi.2020.106584
Open DOI Search in Google Scholar Back to article

Articles in this issue

DOI: https://doi.org/10.2478/lpts-2020-0029 | Journal eISSN: 2255-8896 | Journal ISSN: 0868-8257

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Language: English

Page range: 3 - 11

Published on: Dec 16, 2020

Published by: Institute of Physical Energetics

In partnership with: Paradigm Publishing Services

Publication frequency: 6 issues per year

Keywords:

Current-voltage characteristics,

FeSe monolayer,

transmission spectra,

2D-nanoelectronics

Related subjects:

Physics,

Technical and applied physics

© 2020 D. Sergeyev, N. Zhanturina, L. Myasnikova, A.I. Popov, A. Duisenova, A. Istlyaup, published by Institute of Physical Energetics
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Volume 57 (2020): Issue 6 (December 2020)