Anisotropic band alignment and transport in TMDC junctions with 1T’–2H edge contacts

IF 4.4 2区物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Results in Physics Pub Date : 2025-04-23 DOI:10.1016/j.rinp.2025.108271

Shan Jiang , Huan Wang , Xiaojie Liu , Haitao Yin

引用次数: 0

Abstract

Transition metal dichalcogenides (TMDCs) exhibit remarkable properties and hold a crucial position in the field of materials science. These compounds not only display rich polymorphism but also possess unique electronic structures that endow them with significant anisotropy. By combining density functional theory with non-equilibrium Green’s function, we investigated the anisotropic band alignment in 1T’-MX₂/2H-MX₂ homojunctions. It was discovered that the zigzag direction has a relatively lower Schottky barrier compared to the armchair direction. We used MoTe₂ as an example to construct a field-effect transistor. The lower Schottky barrier in the zigzag direction enables the current in this direction to be consistently higher than that in the armchair direction. However, at V_ds = 0.6 V, the on/off ratio is lower along the zigzag direction compared to the armchair orientation.

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具有1T′-2H边接触的TMDC结的各向异性带对准和输运

过渡金属二硫族化合物（TMDCs）具有优异的性能，在材料科学领域占有重要的地位。这些化合物不仅具有丰富的多态性，而且具有独特的电子结构，使其具有显著的各向异性。将密度泛函理论与非平衡格林函数相结合，研究了1T′-MX2/2H-MX2同结的各向异性带向。研究发现，与扶手椅方向相比，之字形方向的肖特基屏障相对较低。我们以MoTe2为例构建场效应晶体管。锯齿方向上较低的肖特基势垒使得该方向上的电流始终高于扶手椅方向上的电流。然而，在Vds = 0.6 V时，与扶手椅方向相比，锯齿方向的开/关比较低。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Results in Physics MATERIALS SCIENCE, MULTIDISCIPLINARYPHYSIC-PHYSICS, MULTIDISCIPLINARY

CiteScore

8.70

自引率

9.40%

发文量

754

审稿时长

50 days

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