During an experimental preparation, the contamination induced by chemical species usually leads to transport properties instabilities of molecular devices. In the present work, the density functional theory and nonequilibrium Green's functions are used to investigate the spin-transport properties of a manganese phthalocyanine-based spin valve. For the pristine spin valve, its magnetoresistive ratio can reach 10³, indicating important application values in future circuits. However, the magnetoresistive effects are significantly weakened when the device is contaminated by the group NO or CO. The mechanisms are revealed for these phenomena.

中文翻译：

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基于MnPc的自旋阀中污染物引起的自旋输运性质的不稳定性

在实验准备过程中，化学物质引起的污染通常会导致分子装置的传输特性不稳定。在目前的工作中，使用密度泛函理论和非平衡格林函数来研究基于锰酞菁的旋转阀的旋转传输性能。对于原始的自旋阀，其磁阻比可以达到10 ³，表明在未来的电路中具有重要的应用价值。但是，当设备被NO或CO污染时，磁阻效应会大大减弱。揭示了这些现象的机理。