Theoretical design of thermal spin molecular logic gates by using a combinational molecular junction  

作　　者：Yi Guo Peng Zhao Gang Chen 郭逸;赵朋;陈刚(School of Physics and Technology,University of Jinan,Jinan 250022,China;School of Physics and Electronics,Shandong Normal University,Jinan 250358,China)

机构地区：[1]School of Physics and Technology,University of Jinan,Jinan 250022,China [2]School of Physics and Electronics,Shandong Normal University,Jinan 250358,China

出　　处：《Chinese Physics B》2022年第4期616-621,共6页中国物理B（英文版）

基　　金：Project supported by the Natural Science Foundation of Shandong Province,China(Grant No.ZR2021MA059);the Major Scientific and Technological Innovation Project(MSTIP)of Shandong Province,China(Grant No.2019JZZY010209)。

摘　　要：Based on the density functional theory combined with the nonequilibrium Green function methodology,we have studied the thermally-driven spin-dependent transport properties of a combinational molecular junction consisting of a planar four-coordinate Fe molecule and a 15,16-dinitrile dihydropyrene/cyclophanediene molecule,with single-walled carbon nanotube bridge and electrode.Our results show that the magnetic field and light can effectively regulate the thermallydriven spin-dependent currents.Perfect thermal spin-filtering effect and good thermal switching effect are realized.The results are explained by the Fermi-Dirac distribution function,the spin-resolved transmission spectra,the spatial distribution of molecular projected self-consistent Hamiltonian orbitals,and the spin-resolved current spectra.On the basis of these thermally-driven spin-dependent transport properties,we have further designed three basic thermal spin molecular AND,OR,and NOT gates.

关 键 词：thermal molecular logic gate thermally-driven spin-dependent transport combinational molecular junction nonequilibrium Green's function 

分 类 号：TN791[电子电信—电路与系统]