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Abstract The recent realization of ferroelectricity in scandium‐ and boron‐substituted AlN thin films has spurred tremendous research interests. Here we established a molecular dynamics simulation framework to model the ferroelectricity of AlN thin films. Through reparameterization of Vashishta potential for AlN, the coercive field strength and the AlN polarization were found to be close to experimental values. Furthermore, we examined the effects of film thickness, temperature, in‐plane strain on polarization‐electric field hysteresis loop, and the thickness‐dependent Curie temperature. Lastly, we incorporated electrodes towards atomic‐level modeling of ferroelectric device, by considering the induced charge at the interface between electrodes and ferroelectric film. We found that low dielectric contrast significantly lowers the coercive field for switching AlN. 

Chiral semiconductors have been recently suggested as the basic building blocks for the design of chiral optoelectronic and electronic devices for chiral emission and spintronics. Herein, we report that through the formation of a chiral/achiral heterostructure, one can develop a chiral system that integrates the merits of both chiral and achiral components for developing a demanded chiral emitter. In the R-(+)-(or S-(−)-)1-(1-naphthyl)-ethylammonium lead bromide/CsPbBr3 heterostructure, we show that the photoluminescence of CsPbBr3 carries a degree of circular polarization of around 1% at room temperature. It is explained that such chiral emission is enabled through the chiral self-trapped exitonic absorption of R-(+)- (or S-(−)-)1-(1-naphthyl)-ethylammonium lead bromide. This work may provide an alternative way to generate bright circularly polarized light from achiral materials, which has potential applications in spintronics, biosensing, and signal encryption.