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锯齿形类黑磷MX(M = Ge/Sn,X = S/Se)纳米结构的电子输运性质

The electronic transport properties of zigzag phosphorene-like MX (M = Ge/Sn, X = S/Se) nanostructures.

作者信息

Zhang Mengjun, An Yipeng, Sun Yongqiang, Wu Dapeng, Chen Xuenian, Wang Tianxing, Xu Guoliang, Wang Kun

机构信息

College of Physics and Materials Science & Henan Key Laboratory of Boron Chemistry and Advanced Energy Materials, Henan Normal University, Xinxiang 453007, China.

出版信息

Phys Chem Chem Phys. 2017 Jul 5;19(26):17210-17215. doi: 10.1039/c7cp02201h.

Abstract

Single-layer phosphorene-like MX sheets have aroused new interest and could become a family of nanomaterials in physics and materials science. Using a first-principles method combined with non-equilibrium Green's function (NEGF) theory, we study the electronic transport properties of the zigzag phosphorene-like MX (M = Ge/Sn, X = S/Se) nanostructures. The results demonstrate that GeS and GeSe nanoribbons display very similar electronic transport properties. Their current-voltage (I-V) curves exhibit an interesting negative differential resistive (NDR) effect and are insensitive to their ribbon widths due to their similar band structures. However, for SnS and SnSe nanoribbons, their electronic transport properties are obviously dependent on their ribbon widths due to their different band structures. Most of the SnS nanoribbons display the current-limited effect. SnSe nanoribbons could also present a NDR effect, which appeared at a lower applied bias. The currents mainly propagate through the phosphorene-like MX nanoribbons along the metal-termination, while little along the S/Se-termination. Moreover, their two-dimensional monolayers present an obvious difference from their one-dimensional structures. These phosphorene-like MX nanostructures have potential applications in nanoelectronics, and could become candidates for nanodevices, such as NDR devices.

摘要

单层类磷烯MX片材引发了新的研究兴趣,有望成为物理和材料科学领域的一类纳米材料。我们采用第一性原理方法结合非平衡格林函数(NEGF)理论,研究了锯齿形类磷烯MX(M = Ge/Sn,X = S/Se)纳米结构的电子输运性质。结果表明,GeS和GeSe纳米带表现出非常相似的电子输运性质。它们的电流-电压(I-V)曲线呈现出有趣的负微分电阻(NDR)效应,并且由于其相似的能带结构,对带宽度不敏感。然而,对于SnS和SnSe纳米带,由于其不同的能带结构,它们的电子输运性质明显依赖于带宽度。大多数SnS纳米带表现出电流限制效应。SnSe纳米带也可能呈现NDR效应,且出现在较低的外加偏压下。电流主要沿着金属端接方向通过类磷烯MX纳米带,而沿着S/Se端接方向的电流则很少。此外,它们的二维单层与一维结构存在明显差异。这些类磷烯MX纳米结构在纳米电子学中具有潜在应用,有望成为纳米器件(如NDR器件)的候选材料。

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