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
• 来源期刊: 纳米材料科学（英文版）
• 年，卷（期）: 2022,（1）
• 页码范围: 52-59
• 页数: 8页
• 语种: 中文

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 hy-drogenation 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 phos-phorene channel.We show how for perfect vdW heterostructures of graphane/phosphorene/graphane and gra-phene/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.