二维层 MoSe2 中的钒掺入。

IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Journal of Physics: Condensed Matter Pub Date : 2024-11-11 DOI:10.1088/1361-648X/ad8abb
João V B Del Piero, Roberto H Miwa, Wanderlã L Scopel
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引用次数: 0

摘要

实验技术的最新进展使得通过与外来原子的相互作用来操纵二维层状材料(2DM)的结构和电子特性成为可能。利用基于密度泛函理论(DFT)的量子力学计算,我们探索了钒原子(V)与单层(ML)和双层(BL)\ce{MoSe2}之间相互作用的结构、能量、电子和磁特性的依赖性。我们的研究表明,二维材料的功能化为设计基于二维层状材料平台的自旋电子器件做出了重要贡献。
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Vanadium incorporation in 2D-layered MoSe2.

Recent advances in experimental techniques have made it possible to manipulate the structural and electronic properties of two-dimensional layered materials (2DM) through interaction with foreign atoms. Using quantum mechanics calculations based on the density functional theory, we explored the dependency of the structural, energetic, electronic, and magnetic properties of the interaction between Vanadium (V) atoms and monolayer and bilayer MoSe2. Spin-polarized metallic behavior was observed for high V concentration, and a semiconductor/metal interface emerged due to V adsorption on top of BL MoSe2. Our research demonstrated that the functionalization of 2D materials makes an important contribution to the design of spintronic devices based on a 2D-layered materials platform.

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来源期刊
Journal of Physics: Condensed Matter
Journal of Physics: Condensed Matter 物理-物理:凝聚态物理
CiteScore
5.30
自引率
7.40%
发文量
1288
审稿时长
2.1 months
期刊介绍: Journal of Physics: Condensed Matter covers the whole of condensed matter physics including soft condensed matter and nanostructures. Papers may report experimental, theoretical and simulation studies. Note that papers must contain fundamental condensed matter science: papers reporting methods of materials preparation or properties of materials without novel condensed matter content will not be accepted.
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