论文标题

MX $ _2 $纳米片的局部电流电压特性的尺寸影响:扫描隧道显微镜实验的局部状态密度重建

Size Effect of Local Current-Voltage Characteristics of MX$_2$ Nanoflakes: Local Density of States Reconstruction from Scanning Tunneling Microscopy Experiments

论文作者

Morozovska, Anna N., Shevliakova, Hanna V., Lopatina, Yaroslava Yu., Yelisieiev, Mykola, Dovbeshko, Galina I., Olenchuk, Marina V., Svechnikov, G. S., Kalinin, Sergei V., Kim, Yunseok, Eliseev, Eugene A.

论文摘要

低维过渡金属二进制元素(LD-TMD)的局部电流 - 电压特性,以及从扫描隧道显微镜(STM)实验中重建其局部密度(LDOS)的局部电流特性,具有基本兴趣,并且具有基本兴趣,并且可以用于晚期应用。大多数现有模型要么几乎不适用于复杂形状的LD-TMD(例如,基于Simmons方法的LD-TMD),要么用于求解未定义的积分方程以使未知的LDO(例如基于Tersoff方法)变形。使用Tersoff公式的串行扩展,我们提出了一种灵活的方法,如何从STM实验中测得的局部电流 - 电压特性中重建LDO。我们建立了一组关键的物理参数,该参数表征了STM探针的隧穿电流 - 样品接触和在高斯函数中扩展的样品LDOS。使用直接变异方法与概率分析相结合,我们从具有不同层数的MOS2纳米片的STM实验中确定了这些参数。主要结果是LDO在费米级附近的能量范围内重建,这可以洞悉LD-TMD的本地频带结构。重建的LDO揭示了单层,双层和三层MOS $ _2 $纳米片的明显尺寸效果,我们将其与较低的尺寸和纳米片的强弯曲/波纹相关。我们希望,允许LDOS重建的TERSOFF方法的详细说明将对STM实验进行定量描述,对STM实验的定量描述,并且对于对表面,应变和弯曲对LD-TMDS电子性质的贡献的物理理解有用。

Local current-voltage characteristics for low-dimensional transition metal dichalcogenides (LD-TMD), as well as the reconstruction of their local density of states (LDOS) from scanning tunneling microscopy (STM) experiments is of fundamental interest and can be useful for advanced applications. Most of existing models are either hardly applicable for the LD-TMD of complex shape (e.g., those based on Simmons approach), or necessary for solving an ill-defined integral equation to deconvolute the unknown LDOS (e.g., those based on Tersoff approach). Using a serial expansion of Tersoff formulae, we propose a flexible method how to reconstruct the LDOS from local current-voltage characteristics measured in STM experiments. We established a set of key physical parameters, which characterize the tunneling current of a STM probe - sample contact and the sample LDOS expanded in Gaussian functions. Using a direct variational method coupled with a probabilistic analysis, we determine these parameters from the STM experiments for MoS2 nanoflakes with different number of layers. The main result is the reconstruction of the LDOS in a relatively wide energy range around a Fermi level, which allows insight in the local band structure of LD-TMDs. The reconstructed LDOS reveals pronounced size effects for the single-layer, bi-layer and three-layer MoS$_2$ nanoflakes, which we relate with low dimensionality and strong bending/corrugation of the nanoflakes. We hope that the proposed elaboration of the Tersoff approach allowing LDOS reconstruction will be of urgent interest for quantitative description of STM experiments, as well as useful for the microscopic physical understanding of the surface, strain and bending contribution to LD-TMDs electronic properties.

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