• 文献标题:   Design of multifunctional spin logic gates based on manganese porphyrin molecules connected to graphene electrodes
  • 文献类型:   Article
  • 作  者:   ZHANG WF, ZHANG GP, LI ZL, FU XX, WANG CK, WANG ML
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076 EI 1463-9084
  • 通讯作者地址:  
  • 被引频次:   3
  • DOI:   10.1039/d1cp04861a EA DEC 2021
  • 出版年:   2022

▎ 摘  要

The spin-resolved transport properties of molecular logic devices composed of two Mn porphyrin molecules connected to each other via a six-carbon atomic chain were studied using the non-equilibrium Green's function combined with density functional theory. The molecules were symmetrically connected to armchair graphene nanoribbon electrodes through four-carbon atomic chains on the left- and right-hand sides. Our calculations revealed that the spin-resolved current-voltage curves depend on the initial spin setting of the transition metal Mn atoms and carbon atoms on the zigzag edges where the electrodes come in contact with the molecule. By simultaneously regulating the spin orientations of the intermediate functional molecules and the zigzag edges of the armchair graphene nanoribbon electrodes, seven spin polarization configurations were obtained. These configurations were examined in this study considering the spin-related symmetry of molecular junctions. By meticulously selecting different combinations according to the specific input and output signals, YES, NOT, OR, NOR, and XOR multifarious spin logic devices were created. The findings of this study are expected to contribute toward the extension of molecular junction functions in future spintronic integrated circuit design and further miniaturization.