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Anomalous Anisotropy of the Piezoelectric Response in 2D Copper‐Based Ternary Chalcogenides CuMX 2
Author(s) -
Shi Xiaobo,
Jiang Shujuan,
Yin Huabing,
Zhao Jianhua,
Zhao Gaofeng
Publication year - 2021
Publication title -
physica status solidi (rrl) – rapid research letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.786
H-Index - 68
eISSN - 1862-6270
pISSN - 1862-6254
DOI - 10.1002/pssr.202100304
Subject(s) - piezoelectricity , monolayer , ternary operation , materials science , anisotropy , piezoelectric coefficient , condensed matter physics , copper , nanotechnology , optics , composite material , physics , metallurgy , computer science , programming language
The development of 2D materials with excellent electronic properties and piezoelectric response is clearly critical for multifunctional piezoelectric devices. Herein, based on first‐principles calculations, the electronic, mechanical, and piezoelectric properties of a series of 2D copper‐based ternary chalcogenides, denoted as CuMX 2 (M = Sb and Bi; X = S and Se) monolayers, are systematically studied, which can be obtained by exfoliating from their bulk counterparts. The calculations show that these ternary CuMX 2 monolayers exhibit desirable dynamical and thermal stabilities and moderate bandgaps. The calculated piezoelectric coefficientsd 11andd 12of these monolayers are in the range of 0.44–6.14 and 9.13–29.52 pm V −1 , respectively, which exceed or approach those of most well‐studied 2D systems. Interestingly, as compared with other reported 2D systems, the CuMX 2 monolayers exhibit an anomalous anisotropy of piezoelectric response, manifested as the larger coefficientd 12than coefficientd 11 . The study demonstrates that the CuMX 2 monolayers are potential 2D candidates in nanoelectric and nanopiezoelectric devices.