具有高载流子迁移率的二维半导体材料的设计与模拟

发布时间：2018-05-25 00:38

本文选题：无机二维材料 + 全氢化锡烯　；参考：《南京师范大学》2017年硕士论文

【摘要】：2004年,石墨烯的成功制备打破了二维材料不能稳定存在的传统认识,也掀起了二维材料的研究热潮。石墨烯因为具有超高的载流子迁移率,被认为是制造下一代微电子学器件的理想材料。但是石墨烯是零带隙的准金属材料,无法用于直接制备晶体管等微电子学器件。在本论文中,通过密度泛函理论研究了两种新型的无机二维半导体材料,并对它们的电学、光学和力学性质进行了详细的探究。首先,基于实验上制备出二维锡烯单层材料,构建了全部氢化的锡烯-二维锡烷(SnH)。通过计算发现SnH具有1.00 eV的直接带隙,并且可以通过施加外部应力进行有效的调控。SnH拥有远超单层MoS2的载流子迁移率,而且展现出非常好的热力学稳定性,因此在电子学器件领域有很好的应用前景。特别的是,SnH在可见光区和红外光区都有很强的吸收峰,由于太阳光辐射的能量主要分布在红外光区,所以SnH是更好的太阳光接收器,使其在光学器件领域有很好的应用前景。此外,根据之前设计出的含有平面六配位C的二维Be2C单层结构,进一步研究了它的电子学性质和一维Be2C纳米管的性质。Be2C单层是具有直接带隙的半导体,带隙大小可以通过施加应力调节,直接带隙的本质不变,而且它的载流子迁移率也比较高。除了这些独特的性质,它在紫外光区有很强的吸收峰。因此,Be2C单层在微电子学和光学器件中有非常好的应用前景。一维Be2C纳米管具有很高的稳定性,并且其载流子迁移率也比较大,Be2C纳米管的载流子迁移率和带隙可以随纳米管的手性和直径大小而变化。
[Abstract]:In 2004, the successful preparation of graphene broke the traditional understanding that two-dimensional materials could not exist stably, and set off a wave of research on two-dimensional materials. Because of its high carrier mobility, graphene is considered to be an ideal material for manufacturing the next generation of microelectronic devices. However, graphene is a non-band gap quasi-metallic material, which can not be directly used to fabricate microelectronic devices such as transistors. In this paper, two new inorganic two-dimensional semiconductor materials are studied by density functional theory, and their electrical, optical and mechanical properties are investigated in detail. Firstly, based on the experimental preparation of two-dimensional stannene monolayer materials, all hydrogenated stanne-2-D stannane tin monolayers were constructed. It is found by calculation that SnH has a direct band gap of 1.00eV and can be effectively controlled by applying external stress. SnH has a carrier mobility far higher than that of monolayer MoS2, and shows very good thermodynamic stability. Therefore, it has a good application prospect in the field of electronic devices. In particular, SnH has very strong absorption peaks in both visible and infrared regions. Because the energy of solar radiation is mainly distributed in the infrared region, SnH is a better solar receiver, which makes it have a good application prospect in the field of optical devices. In addition, according to the previously designed two-dimensional Be2C monolayer structure with planar six-coordinated C, the electronic properties and the properties of one-dimensional Be2C nanotubes. Be2C monolayer are semiconductors with direct band gap. The size of the band gap can be adjusted by applying stress, the nature of the direct band gap is invariant, and its carrier mobility is also relatively high. In addition to these unique properties, it has a strong absorption peak in the ultraviolet region. Therefore, Be2C monolayer has a good application prospect in microelectronics and optical devices. One-dimensional Be2C nanotubes have high stability, and the carrier mobility and band gap of one-dimensional Be2C nanotubes can vary with the chirality and diameter of the nanotubes.
【学位授予单位】：南京师范大学
【学位级别】：硕士
【学位授予年份】：2017
【分类号】：TN304

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