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/content/aip/journal/adva/6/6/10.1063/1.4953856
2016-06-08
2016-12-08

Abstract

We theoretically investigate the piezoelectricity of Sc Al N in the entire range of by first-principles calculations. We find that the piezoelectric constants of wurtzite-type Sc Al N significantly enhance as increases from 0 to 0.75. However, the energy stability analyses between structure phases show that the cubic-type phases become more stable than the wurtzite-type phases at of approximately 0.5 and higher, interfering with the ability of wurtzite-type Sc Al N to realize the maximum piezoelectricity. Moreover, our study on element combination dependences on piezoelectricity in N ( = Sc, Y, La and = Al, Ga, In) indicates that Sc, Y, and La have the strongest effect on the enhancement of piezoelectric constants in AlN, GaN, and InN, respectively.

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