Electronic Transport Properties of Phenalenyl Molecular Devices via Gated Modulation
Electronic Transport Properties of Phenalenyl Molecular Devices via Gated Modulation作者机构：Department of Physics and Information Engineering Jining University Qufu China
出 版 物：《Journal of Applied Mathematics and Physics》 (应用数学与应用物理（英文）)
年 卷 期：2021年第9卷第3期
页 面：503-514页
学科分类：080903[工学-微电子学与固体电子学] 0809[工学-电子科学与技术（可授工学、理学学位）] 08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学]
主 题：Electronic Transport Transverse Gate Nonequilibrium Green’s Function Phenalenyl Molecular
摘 要：By applying nonequilibrium Green’s functions (NEGF) in combination with the density functional theory (DFT), we investigate the electronic transport properties of gated phenalenyl molecular devices with two different contact geometries. The calculated results show that electronic transport properties of the two different devices can be modulated by external transverse gates. When the molecule contacts the Au electrodes through two second-nearest sites, the current-voltage (I-V) characteristic curves are symmetric and suppressed by the gate electrodes. However, a rectifying behavior will occur when the electrodes connect the molecule on both sides, one second-nearest site and one third-nearest site, respectively. Mechanisms for such phenomena are proposed and these findings suggest a new opportunity for developing molecular devices.
维普期刊数据库