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Title: New monolayer ternary In-containing sesquichalcogenides BiInSe3, SbInSe3, BiInTe3, and SbInTe3 with high stability and extraordinary piezoelectric properties
Authors: Yin, HB 
Zheng, GP 
Wang, YX
Yao, BJ
Issue Date: 2018
Publisher: Royal Society of Chemistry
Source: Physical chemistry chemical physics, 28 July 2018, v. 20, no. 28, p. 19177-19187 How to cite?
Journal: Physical chemistry chemical physics 
Abstract: Looking for the high-performance alternatives to conventional lead-containing piezoelectric materials such as lead zirconate titanate (PZT) is absolutely vital for the development of low-dimensional innovative piezoelectric devices. Herein, we present our first-principles calculations on several new monolayers consisting of ternary In-containing sesquichalcogenides, which exhibit high stability and extraordinary piezoelectric properties. Our calculations predict that the in-plane (d(11)) and out-of-plane (d(31)) piezoelectric coefficients of BiInSe3, SbInSe3, BiInTe3, and SbInTe3 monolayers are much larger than those of most previously reported two-dimensional (2D) materials and widely studied wurtzite-type bulk piezoelectrics. Very strikingly, BiInTe3 monolayer possesses a d(11) as high as 362 pm V-1 due to its mechanical flexibility, which is the highest among those reported in 2D materials and for the first time reaches those (approximate to 360 pm V-1) in bulk lead-containing piezoelectric materials such as PZT. The theoretical predictions of the giant piezoelectricity in these 2D materials suggest that they have great potentials for the applications in atomically thin lead-free piezoelectric devices such as sensors and energy harvesters.
ISSN: 1463-9076
EISSN: 1463-9084
DOI: 10.1039/c8cp02793e
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