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- W4285048930 abstract "Flexible two-dimensional (2D) piezoelectric materials are promising for applications in wearable electromechanical nano-devices such as sensors, energy harvesters, and actuators. A large piezo-response is required for any practical applications. Based on first-principles calculations, we report that ferroelectric TiOX2 and multiferroelectric VOX2 (X = F, Cl, and Br) monolayers exhibit large in-plane stress (e11) and strain (d11) piezoelectric coefficients. For example, the in-plane piezo-response of TiOBr2 (both e11 = 28.793 × 10-10 C m-1 and d11 = 37.758 pm V-1) is about an order of magnitude larger than that of the widely studied 1H-MoS2 monolayer, and also quite comparable to the giant piezoelectricity of group-IV monochalcogenide monolayers, e.g., SnS. Moreover, the d11 of MOX2 monolayers - ranging from 29.028 pm V-1 to 37.758 pm V-1 - are significantly higher than the d11 or d33 of commonly used 3D piezoelectrics such as w-AlN (d33 = 5.1 pm V-1) and α-quartz (d11 = 2.3 pm V-1). Such a large d11 of MOX2 monolayers originates from low in-plane elastic constants with large e11 due to large Born effective charges (Zij) and atomic sensitivity to an applied strain. Moreover, we show the possibility of opening a new way of controlling piezoelectricity by applying a magnetic field." @default.
- W4285048930 created "2022-07-13" @default.
- W4285048930 creator A5053483131 @default.
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- W4285048930 date "2022-01-01" @default.
- W4285048930 modified "2023-09-30" @default.
- W4285048930 title "Large piezoelectric response in ferroelectric/multiferroelectric metal oxyhalide MOX<sub>2</sub> (M = Ti, V and X = F, Cl and Br) monolayers" @default.
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- W4285048930 doi "https://doi.org/10.1039/d2nr02761e" @default.
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