α-In2Se3/Nb-doped MoSh2 heterojunction: a first-principles study

IF 1.9 4区工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC

Semiconductor Science and Technology Pub Date : 2023-11-24 DOI:10.1088/1361-6641/ad0dac

Xiurui Lv, Guipeng Liu, Bangyao Mao, Heyuan Huang, Guijuan Zhao, Jianhong Yang

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引用次数: 0

Abstract

The α-In₂Se₃ material is a two-dimensional ferroelectric semiconductor whose structural asymmetry gives it spontaneous polarization properties, and exhibits a direct bandgap structure when it is multilayered. α-In₂Se₃ is an n-type semiconductor, which is usually used in experiments to form heterojunctions with p-type semiconductors to prepare photodetectors. In this paper, we designed α-In₂Se₃/Nb-doped MoS₂ heterojunction, because Nb doping is a good p-type dopant for MoS₂. Our research shows that: the heterojunction exhibits type-Ⅱ band alignment; the band offset can be changed by the out-of-plane polarization direction; doping can modulate the Fermi energy level position of MoS₂ and thus further modulate the band alignment and band offset. The α-In₂Se₃/Nb-doped MoS₂ heterojunction is expected to be applied to the field of photodetectors, and we proposed a method to adjust the band alignment of the heterojunction by adjusting the doping concentrations.

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α-In2Se3/掺铌 MoSh2 异质结：第一原理研究

α-In2Se3材料是一种二维铁电半导体，其结构的不对称性使其具有自发极化特性，在多层结构时表现出直接带隙结构。α-In2Se3是一种n型半导体，在实验中通常用于与p型半导体形成异质结来制备光电探测器。在本文中，我们设计了 α-In2Se3/Nb 掺杂 MoS2 异质结，因为 Nb 掺杂是 MoS2 的良好 p 型掺杂剂。我们的研究表明：异质结表现出Ⅱ型带排列；带偏移可以通过面外极化方向改变；掺杂可以调节 MoS2 的费米能级位置，从而进一步调节带排列和带偏移。α-In2Se3/Nb掺杂MoS2异质结有望应用于光电探测器领域，我们提出了一种通过调整掺杂浓度来调整异质结带对准的方法。

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

Semiconductor Science and Technology 工程技术-材料科学：综合

CiteScore

4.30

自引率

5.30%

发文量

216

审稿时长

2.4 months

期刊介绍： Devoted to semiconductor research, Semiconductor Science and Technology''s multidisciplinary approach reflects the far-reaching nature of this topic. The scope of the journal covers fundamental and applied experimental and theoretical studies of the properties of non-organic, organic and oxide semiconductors, their interfaces and devices, including: fundamental properties materials and nanostructures devices and applications fabrication and processing new analytical techniques simulation emerging fields: materials and devices for quantum technologies hybrid structures and devices 2D and topological materials metamaterials semiconductors for energy flexible electronics.