二维铁电材料的第一性原理研究进展

First Principles Research Progress of Two Dimensional Ferroelectric Materials

由于二维铁电体固有的尺寸和表面效应,其铁电性能与传统的块状铁电体有较大的不同。到目前为止,二维铁电体已被报道具有多种性质,包括体光电效应、压电/热释电效应、谷极化和自旋极化。这些性质或依赖于铁电极化,或与之耦合以便于电学控制,从而使二维铁电体适用于多功能纳米器件。目前,二维铁电体在理论、实验和应用方面的研究正在不断积累。文中简要介绍了采用第一性原理研究二维铁电材料的理论和方法,并分别总结了二维铁电性的本征与非本征起源,最后讨论了二维铁电体存在的问题及发展前景。

Due to its inherent size and surface effect,the ferroelectric properties of two-dimensional ferroelectrics are very different from those of traditional bulk ferroelectrics.So far,two-dimensional ferroelectrics have been reported to have many properties,including bulk photoelectric effect,piezoelectric/pyroelectric effect,valley polarization and spin polarization.These properties either depend on ferroelectric polarization or couple with it for electrical control,which makes 2D ferroelectrics suitable for multi-functional nano devices.At present,the research of two-dimensional ferroelectrics in theory,experiment and application is accumulating.This study briefly introduces these theories and methods.Then,the intrinsic and extrinsic origins of two-dimensional ferroelectrics are summarized respectively.Finally,the existing problems and development prospects of two-dimensional ferroelectrics are discussed.