A novel multiscale simulation framework for low-dimensional memristors

查看全文 作　　者：Shurong [1]Pan;Li [1]Liu;Qijun [1]Huang;Jin [1]He;Hao [1]Wang;Sheng [1,2]Chang 机构地区：[1]Key Laboratory of Artificial Micro-and Nano-Structures of Ministry of Education,School of Physics and Technology,Wuhan University,Wuhan 430072,China;[2]School of Microelectronics,Wuhan University,Wuhan 430072,China 出　　处：《Science China(Physics,Mechanics & Astronomy)》索引2023年第66卷第7期,共9页 基　　金：supported by the National Natural Science Foundation of China(Grant Nos.62074116,61874079,and 81971702);the Luojia Young Scholars Program。 摘　　要：In recent years,the memristor has been widely considered an emerging device,but it has rarely been simulated.An obstacle is the change in the intrinsic atomic level when it works.Using the density functional theory(DFT),this atomic level change in structure cannot be demonstrated.Using molecular dynamics(MD),memristor electronic transport properties cannot be calculated.In this study,we propose a novel multiscale simulation framework merging MD,DFT,and the nonequilibrium Green’s function method,which can reveal not only a memristor’s basic working mechanism but also its transport character.To verify our framework’s availability in guiding innovative memristor design,a new type of memristor,a planar monolayer MoS_(2)-based memristor,is simulated for the first time.The popped S atoms’effect on its carrier transport is revealed,which clarifies the working mechanism of the planar monolayer MoS_(2)-based memory device.We hope that this framework can shed light on the analysis and design of low-dimensional memristors. 关 键 词：multiscale framework MEMRISTOR planar monolayer transport properties MoS_(2)