Two‐dimensional Janus group‐III ternary chalcogenide monolayer compounds B2XY, Al2XY, and BAlX2 (X, Y = S, Se, Te) with high carrier mobilities

Vipin Kumar; Jaehoon Jung

doi:10.1002/bkcs.12440

journal article Nov 18, 2021

Two‐dimensional Janus group‐III ternary chalcogenide monolayer compounds B2XY, Al2XY, and BAlX2 (X, Y = S, Se, Te) with high carrier mobilities

Vipin Kumar

Jaehoon Jung

Bulletin of the Korean Chemical Society Vol. 43 No. 1 pp. 138-146 · Wiley

View at Publisher Save 10.1002/bkcs.12440

Abstract

AbstractFirst‐principles approach based on density functional theory is employed in order to investigate the structural, electronic, and mechanical properties of the two‐dimensional Janus group‐III ternary chalcogenide monolayer (G3TCM) semiconductor series, B2XY, Al2XY, and BAlX2 (X, Y = S, Se, Te; X ≠ Y). The effective masses, band gaps, and carrier mobilities of the entire series of Janus G3TCM compounds are evaluated to comprehensively examine their feasibility as an ingredient in nanoscale electronic device. All the G3TCM compounds proposed in this study are suggested to be realizable based on phonon calculations and estimated mechanical stability. The indirect bandgap of B2XY and Al2XY can be switched to direct bandgap in BAlX2 by constructing Janus‐type structure using group‐III elements. The computationally obtained carrier mobilities according to the deformation potential theory indicated that B2SSe and BAlSe2 have exceptional electron and hole carrier mobility of 2.02 × 104 and 2.58 × 105 cm2 V−1 s−1, respectively, at room temperature.

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Citations

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References

Details

Published: Nov 18, 2021
Vol/Issue: 43(1)
Pages: 138-146
License: View

Authors

V

Vipin Kumar

Department of Chemistry University of Ulsan Nam‐gu, Ulsan Republic of Korea

J

Jaehoon Jung

Department of Chemistry University of Ulsan Nam‐gu, Ulsan Republic of Korea

Funding

University of Ulsan

Cite This Article

Vipin Kumar, Jaehoon Jung (2021). Two‐dimensional Janus group‐III ternary chalcogenide monolayer compounds B2XY, Al2XY, and BAlX2 (X, Y = S, Se, Te) with high carrier mobilities. Bulletin of the Korean Chemical Society, 43(1), 138-146. https://doi.org/10.1002/bkcs.12440

Two‐dimensional Janus group‐III ternary chalcogenide monolayer compounds B2XY, Al2XY, and BAlX2 (X, Y = S, Se, Te) with high carrier mobilities

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