With the help of single crystal x-ray crystallography and density-functional theory calculations, we unravel the atomistic origin of negative piezoelectricity in this system, which arises from the …

2023年12月5日 · Here, we report the first example in two-dimensional elemental materials—the class of group-Va monolayers. From first-principles calculations, we show that these materials …

2023年2月2日 · The small out-of-plane Young's modulus (Y ∼ 11 N m − 1), originating from the weak vdW interlayer bonding relative to the stronger intralayer bonding, accounts for the …

2024年7月22日 · Here, utilizing first-principles calculations, we unveil the origin of negative longitudinal piezoelectricity in ferroelectric hafnia by introducing the concept of weighted …

2021年5月26日 · In this study, we investigate the underlying mechanisms of the universal negative piezoelectricity in low-dimensional layered materials by carrying out first-principles …

2024年10月14日 · In this Topical Review, we will briefly introduce on the negative piezoelectricity in quasi-two/one-dimensional ferroelectrics, including its fundamental concept, typical …

2015年10月5日 · Our findings tie the counterintuitive negative piezoelectric response of PVDF and its copolymers to the dynamics of their composite microstructure. Piezoelectricity …

A pronounced negative out-of-plane piezoelectricity of −0.77 × 10 −10 C/m is predicted by density functional perturbation theory. Our electronic structure analysis suggests that the negative …

2020年9月21日 · In this study, we investigate the underlying mechanisms of the negative piezoelectricity in low--dimensional materials by carrying out first--principles calculations. Two- …

2023年12月15日 · Its negative piezoelectricity originates from its unique buckling ferroelectric mechanism, namely intercolumn sliding. Consequently, a moderate tensile strain can …