基于二硒化铂新型纳米器件高各向异性输运研究

Research on high anisotropic transport of new nanodevices based on platinum diselenide

低维材料是发展新一代电子技术和纳米器件的关键。低维二硒化铂(PtSe_(2))材料因具有制备方法简单、稳定性高、载流子迁移率高等优点而备受关注,被视为最有希望的电子器件候选材料之一。本研究采用密度泛函理论和非平衡格林函数相结合的第一性原理方法研究了低维PtSe_(2)材料的电子结构和输运性质,并沿不同的边界计算锯齿型和扶手椅型PtSe_(2)纳米带。结果表明,不同的条带宽度对锯齿型边界下的PtSe_(2)影响很小,其能带结构均为金属性;扶手椅型边界下表现出奇偶特性。同时,不同边界的PtSe_(2)纳米器件具有高各向异性,其中,锯齿型边界的PtSe_(2)纳米器件有更高的电流,并且表现出负微分电阻效应。

Low-dimensional materials are key to the development of a new generation of electronic technology and nanodevices.Low-dimensional platinum disselenide(PtSe_(2))materials have attracted much attention because of their advantages like simple preparation method,high stability and high carrier mobility,and are regarded as one of the most promising candidate materials for electronic devices.A first-principles approach,combining density functional theory and non-equilibrium Green functions,is used to study the electronic structure and transport properties of low-dimensional PtSe_(2)materials,and calculate along different boundaries the serrated and armchair type PtSe_(2)nanoribbons.The results show that different band widths have very little effect on PtSe_(2)under the serrated boundary,and their energy band structures are all metallic,while they show parity properties under armchair boundary.At the same time,the PtSe_(2)nanodevices of different boundaries have high anisotropy,among which,the PtSe_(2)nanodevices with serrated boundaries have higher currents and exhibit negative differential electrical resistance effects.