First principles study of field effect device through van der Waals and lateral heterostructures of graphene, phosphorene and graphane  

作　　者：C.Rebolledo Espinoza D.A.Ryndyk A.Dianat R.Gutierrez G.Cuniberti 

机构地区：[1]Materials Science and Nanotechnology,TU Dresden,01069,Dresden,Germany

出　　处：《Nano Materials Science》2022年第1期52-59,共8页纳米材料科学（英文版）

基　　金：supported through the German Research Foundation within the project “Straintronics of imperfect quasi-two-dimensional materials: coplanar vs lamellar heterostructures” (CU 44/43).

摘　　要：Chemical modification and vertical stacking of two-dimensional materials are promising techniques for new nanoelectronic devices. We present Density Functional Tight Binding(DFTB) calculations of a field-effect device,based on lateral and vertical heterostructures of 2D materials. The device consists of a phosphorene channel protected by graphene sheets, which work as contacts and are divided into the source and drain by local hydrogenation of graphene, which gives insulating graphane. In this device composed of only 3 layers, single sheets of graphene-graphane can work as both leads and oxide gate, while also acting as protective layers for a phosphorene channel. We show how for perfect vd W heterostructures of graphane/phosphorene/graphane and graphene/phosphorene/graphene the Schottky barrier is deeply influenced by normal electric fields, and we characterize electronic transport of such a device. Finally, we characterize phosphorene channel doping and defects, which, at very high densities in the transport direction, enables transport inside the phosphorene bandgap.

关 键 词：2D materials van der Waals hetenstucture GRAPHENE PHOSPHORANE GRAPHANE DFTB Defects Fleld effect 

分 类 号：TB34[一般工业技术—材料科学与工程]