Theoretical design of single-molecule NOR and XNOR logic gates by using transition metal dibenzotetraaza[14]annulenes

• 来源期刊: 中国物理B（英文版）
• 关键词: single-molecule junction molecular logic gate spin transport nonequilibrium Green's functionmethod
• 年，卷（期）: 2020,（6）
• 页码范围: 471-479
• 页数: 9页
• 语种: 英文
• DOI: 10.1088/1674-1056/ab84cf

摘要

The idea of replacing traditional silicon-based electronic components with the ones assembled by organic moleculesto further scale down the electric circuits has been attracting extensive research focuses. Among the molecularly assembled components, the design of molecular logic gates with simple structure and high Boolean computing speed remains a great challenge. Here, by using the state-of-the-art nonequilibrium Green's function theory in conjugation with first-principles method, the spin transport properties of single-molecule junctions comprised of two serially connected transition metal dibenzotetraaza[14]annulenes (TM(DBTAA), TM=Fe, Co) sandwiched between two single-walled carbon nanotube elec-trodes are theoretically investigated. The numerical results show a close dependence of the spin-resolved current-voltage characteristics on spin configurations between the left and right molecular kernels and the kind of TM atom in TM(DBTAA) molecule. By taking advantage of spin degree of freedom of electrons, NOR or XNOR Boolean logic gates can be realized in Fe(DBTAA) and Co(DBTAA) junctions depending on the definitions of input and output signals. This work proposes a new kind of molecular logic gates and hence is helpful for further miniaturization of the electric circuits.