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A tight-binding study of a 1-bit half-adder based on diode logic integrated inside a single molecule

机译：基于集成在单个分子内的二极管逻辑的1位半加法器的紧密绑定研究

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The design of a 1-bit half-adder diode logic circuit inside a single molecule is investigated, with the chemical groups for diodes and wires bonded together to form the molecular circuit. With a circuit working in the ballistic transport regime, interference effects between the different electron paths in the circuit make the optimization of the circuit's logic function very delicate. In the tunnelling regime, these effects are partly suppressed. But the exponential decay of the current with the wire length imposes additional constraints for circuit design. A programmable gate logic array-like architecture would be expected be more useful for the design of a 1-bit adder in the ballistic regime due to the regularity of the circuit lattice, which might reduce interferences. On the other hand, a dedicated design which minimizes the amount of wiring might be the better choice for the tunnelling regime. However, we find that the logic output of classical diode logic circuits cannot be reproduced in either regime because Kirchhoff-like circuit rules do not apply. Furthermore, the geometry dependence of electron transmission in both regimes would make it impractical to build up logical functions like the SUM of an adder from simple OR- and AND-gates, even if the output pattern of these gates could be perfectly reproduced.
机译：研究了单个分子内部的1位半加法二极管逻辑电路的设计，其中二极管和导线的化学基团结合在一起形成分子电路。在弹道传输状态下工作的电路中，电路中不同电子路径之间的干扰效应使电路逻辑功能的优化变得非常微妙。在隧道状态下，这些影响被部分抑制。但是电流随导线长度的指数衰减对电路设计施加了其他约束。由于电路格的规律性，可以预期像可编程门逻辑阵列那样的体系结构在弹道系统中的1位加法器的设计中会更有用，这可以减少干扰。另一方面，最小化布线数量的专用设计可能是隧道技术的更好选择。但是，我们发现经典二极管逻辑电路的逻辑输出无法在任何一种情况下进行复制，因为不适用类似基尔霍夫的电路规则。此外，在两种情况下电子传输的几何形状相关性将使从简单的“或”门和“与”门建立逻辑功能（如加法器的SUM）变得不切实际，即使这些门的输出模式可以完美再现。

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