论文标题
稳定过渡金属硅酸盐单层中的磁性和压电性
Magnetism and Piezoelectricity in Stable Transition Metal Silicate Monolayers
论文作者
论文摘要
二维范德华（2D VDW）材料表现出铁磁和压电性越来越受到关注。尽管迄今为止，据报道有许多2D材料是铁磁性的，但开发了一种可转移的多种材料的空气稳定且可转移的VDW材料一直具有挑战性。为了解决这个问题，我们报告了对分层过渡金属硅酸盐的工作，这些金属硅酸盐是高岭石和蜥蜴人的衍生物，并使用Ab-Initio计算在Al $^{3+} $上替换过渡金属替代品。使用密度函数理论（DFT），我们表明这些化合物在不同的o $ _2 $ partw级稳定下是稳定的，并且可以使用表面辅助方法合成。我们表明，由于缺乏反转对称性，这些材料具有有限的平面外压电响应，并且可以根据非零的净力矩来量身定制以铁磁量。
Two-dimensional van der Waals (2D vdW) materials that display ferromagnetism and piezoelectricity have received increased attention. Despite numerous 2D materials have so far been reported as ferromagnetic, developing an air stable and transferable vdW material that is multiferroic has been challenging. To address this problem, we report our work on layered transition metal silicates that are derivatives of kaolinites and lizardites with transition metal substituting on Al$^{3+}$ and Mg$^{2+}$ sites using ab-initio calculations. Using Density Functional Theory (DFT), we show that these compounds are stable under varying O$_2$ partial pressure and can be synthesized using a surface assisted method. We show that these materials have finite out-of-plane piezoelectric response thanks to the lack of inversion symmetry and also they can be tailored to be ferrimagnetic with a non-zero net moment.
