Spin rectification and optoelectronic properties of asymmetric edge passivated armchair SiC nanoribbon PN junction

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This paper proposes a PN junction construction strategy for intrinsic conductivity zoning without the need for external doping, which only achieves asymmetric dihydrogen passivation of the C and Si atoms at the edge of armchair SiC nanoribbons (aSiCNRs). The spin rectification and optoelectronic properties of two PN junctions, namely aSiCNR-A (the same-side asymmetric dihydrogen passivated structure) and aSiCNR-B (the opposite-side asymmetric dihydrogen passivated structure), are systematically investigated by first-principle calculations. The results show that both PN junctions exhibit pronounced spin rectification behavior, with the spin-down rectification ratio being significantly larger than the spin-up counterpart. The aSiCNR-A PN junction demonstrates superior spin rectification performance, achieving a maximum spin-down rectification ratio of 1011, while its maximum spin-down current is approximately twice that of the aSiCNR-B PN junction. In contrast, the aSiCNR-B PN junction exhibits more prominent optoelectronic properties, with a peak photocurrent density of 0.8 A/m2 and a maximum photoresponsivity of 14.9 mA/W. These findings reveal the versatile tunability of the electronic states of aSiCNRs through asymmetric edge passivation and provide theoretical guidance for the design of doping-free spintronic and optoelectronic nanodevices.

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