利用应变操纵 PtS2/MoTe2 异质结构的电子和自旋电子特性

IF 2.8 3区化学 Q3 CHEMISTRY, PHYSICAL Chemical Physics Letters Pub Date : 2024-09-20 DOI:10.1016/j.cplett.2024.141648

Congming Ke , Zhiqiang Li , Yiao Pang , Guoqin Huang , Jian Guo , Yaping Wu

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引用次数: 0

摘要

本研究通过第一性原理计算研究了应变工程对 PtS2/MoTe2 异质结构的电子和自旋电子特性的影响。根据能量最小原理，确定了 PtS2/MoTe2 异质结构的最稳定构型。原子轨道投影能带结构分析了不同应变下能带结构的演变机制。此外，还预测了 PtS2/MoTe2 异质结构的拉什巴型自旋纹理，并通过原子轨道投影自旋纹理揭示了其形成机制。PtS2/MoTe2 异质结构的应变可调电子和自旋电子特性为自旋电子学和纳米电子学的应用带来了巨大前景。

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Manipulating the electronic and spintronic properties in PtS2/MoTe2 heterostructure with strain

In this work, the strain engineering on the electronic and spintronic properties of PtS₂/MoTe₂ heterostructure is investigated by first-principle calculations. Based on the energy minimum principle, the most stable configuration of the PtS₂/MoTe₂ heterostructure is recognized. The mechanisms for the evolution of the band structures under different strains are analyzed by the atomic orbital projected band structures. Furthermore, a Rashba type spin texture of PtS₂/MoTe₂ heterostructure is predicted, with a formation mechanism revealed through atomic orbital projected spin textures. The strain tunable electronic and spintronic properties of PtS₂/MoTe₂ heterostructure hold great promise in applications of spintronics and nanoelectronics.

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来源期刊

Chemical Physics Letters 化学-物理：原子、分子和化学物理

CiteScore

5.70

自引率

3.60%

发文量

798

审稿时长

33 days

期刊介绍： Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage. Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.