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Design of multifunctional spin logic gates based on manganese porphyrin molecules connected to graphene electrodes
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2021-12-21 , DOI: 10.1039/d1cp04861a Wenfei Zhang 1 , Guang-Ping Zhang 1 , Zong-Liang Li 1 , Xiao-Xiao Fu 1 , Chuan-Kui Wang 1 , Minglang Wang 1
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2021-12-21 , DOI: 10.1039/d1cp04861a Wenfei Zhang 1 , Guang-Ping Zhang 1 , Zong-Liang Li 1 , Xiao-Xiao Fu 1 , Chuan-Kui Wang 1 , Minglang Wang 1
Affiliation
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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.
中文翻译：
基于锰卟啉分子连接石墨烯电极的多功能自旋逻辑门设计
由两个锰卟啉分子组成的分子逻辑器件的自旋分辨传输特性利用非平衡格林函数结合密度泛函理论研究了六碳原子链。这些分子通过左右两侧的四碳原子链对称地连接到扶手椅石墨烯纳米带电极。我们的计算表明，自旋分辨的电流 - 电压曲线取决于电极与分子接触的锯齿形边缘上过渡金属 Mn 原子和碳原子的初始自旋设置。通过同时调节中间功能分子的自旋方向和扶手椅石墨烯纳米带电极的锯齿形边缘，获得了七种自旋极化配置。考虑到分子结的自旋相关对称性，在本研究中检查了这些配置。通过根据特定的输入和输出信号精心选择不同的组合，创建了 YES、NOT、OR、NOR 和 XOR 多种自旋逻辑器件。预计这项研究的结果将有助于在未来的自旋电子集成电路设计和进一步小型化中扩展分子结功能。
更新日期：2022-01-06
中文翻译：
基于锰卟啉分子连接石墨烯电极的多功能自旋逻辑门设计
由两个锰卟啉分子组成的分子逻辑器件的自旋分辨传输特性利用非平衡格林函数结合密度泛函理论研究了六碳原子链。这些分子通过左右两侧的四碳原子链对称地连接到扶手椅石墨烯纳米带电极。我们的计算表明，自旋分辨的电流 - 电压曲线取决于电极与分子接触的锯齿形边缘上过渡金属 Mn 原子和碳原子的初始自旋设置。通过同时调节中间功能分子的自旋方向和扶手椅石墨烯纳米带电极的锯齿形边缘，获得了七种自旋极化配置。考虑到分子结的自旋相关对称性，在本研究中检查了这些配置。通过根据特定的输入和输出信号精心选择不同的组合，创建了 YES、NOT、OR、NOR 和 XOR 多种自旋逻辑器件。预计这项研究的结果将有助于在未来的自旋电子集成电路设计和进一步小型化中扩展分子结功能。
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