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Piezoelectricity in two-dimensional group III-V buckled honeycomb monolayers

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WILEY-V C H VERLAG GMBH
DOI: 10.1002/pssr.201600412

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density functional theory; piezoelectricity; honeycomb monolayers; two-dimensional materials; III-V binary compounds

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We studied the elastic and piezoelectric properties of buckled honeycomb group III-V monolayers (GaP, GaAs, GaSb, InP, InAs and InSb) by DFT calculations. Those buckled monolayers are ferroelectric and have nonzero e(11), e(31), d(11) and d(31) piezoelectric coefficients. Our calculations show that those monolayers are good piezoelectric materials and a pro-nounced periodic trend of the piezoelectric coefficients e(11), e(31), d(11) and d(31) was found. Group III-V monolayers are promising candidates for future atomically thin piezoelectric applications such as transducers, sensors, and energy harvesting devices.

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