波纹诱导柔性电极化与低维过渡金属二硫族化合物电导率的关系

A. Morozovska, E. Eliseev, H. Shevliakova, Y. Lopatina, G. Dovbeshko, M. Glinchuk, Yunseok Kim, Sergei V. Kalinin
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引用次数: 6

摘要

低维过渡金属二硫族化合物(TMDs)极性和半导体性质的可调性已将其推向基础和应用物理研究的前沿。这些材料可以从非极性到铁电性,从直接带半导体到金属。然而,除了经典的控制,如tmd中的成分、掺杂和场效应,由于曲率引起的电子重分布和相关的电子性质变化,额外的自由度出现了。本文采用有限元模型(FEM)对放置在具有波纹正弦轮廓的粗糙衬底上的TMD纳米片的弹性场、电场、挠曲电极化和自由电荷密度进行了数值研究。不同薄片厚度和波纹深度的数值结果揭示了面外电极化的挠曲电性质,并建立了极化与静态电导率调制之间的明确相关性,这种调制是由非均匀弹性应变与变形势和应变梯度耦合引起的,而变形势和应变梯度是由于薄片表面与波纹衬底之间的粘附而在TMD纳米薄片中形成的。我们发现,放置在金属衬底上的MoS2和MoTe2纳米片的电子和空穴导电性对厚度的依赖性最大,这为它们的几何优化开辟了道路,从而显著改善了它们的极性和电子特性,这对于它们在纳米电子学和存储器件中的高级应用是必要的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Correlation Between Corrugation-Induced Flexoelectric Polarization and Conductivity of Low-Dimensional Transition Metal Dichalcogenides
Tunability of polar and semiconducting properties of low-dimensional transition metal dichalcogenides (TMDs) have propelled them to the forefront of fundamental and applied physical research. These materials can vary from non-polar to ferroelectric, and from direct-band semiconductor to metallic. However, in addition to classical controls such as composition, doping, and field effect in TMDs the additional degrees of freedom emerge due to the curvature-induced electron redistribution and associated changes in electronic properties. Here we numerically explore the elastic and electric fields, flexoelectric polarization and free charge density for a TMD nanoflake placed on a rough substrate with a sinusoidal profile of the corrugation using finite element modelling (FEM). Numerical results for different flake thickness and corrugation depth yield insight into the flexoelectric nature of the out-of-plane electric polarization and establish the unambiguous correlation between the polarization and static conductivity modulation caused by inhomogeneous elastic strains coupled with deformation potential and strain gradients, which evolve in TMD nanoflake due to the adhesion between the flake surface and corrugated substrate. We revealed a pronounced maximum at the thickness dependences of the electron and hole conductivity of MoS2 and MoTe2 nanoflakes placed on a metallic substrate, which opens the way for their geometry optimization towards significant improvement their polar and electronic properties, necessary for their advanced applications in nanoelectronics and memory devices.
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