Nanoarchitectonics and Theoretical Evaluation on Electronic Transport Mechanism of Spin-Filtering Devices Based on Bridging Molecules DOI Creative Commons
Haiyan Wang, Shuaiqi Liu, Chao Wu

et al.

Nanomaterials, Journal Year: 2025, Volume and Issue: 15(10), P. 759 - 759

Published: May 18, 2025

By combining density functional theory with the non-equilibrium Green’s function method, we conducted a first-principles investigation of spin-dependent transport properties in molecular device featuring dynamic covalent chemical bridge connected to zigzag graphene nanoribbon electrodes. The effects spin-filtering and spin-rectifying on I–V characteristics are revealed explained for proposed device. Interestingly, our results demonstrate that all three devices exhibit significant single-spin-filtering behavior parallel (P) magnetization dual-spin-filtering antiparallel (AP) configurations, achieving nearly 100% efficiency. At same time, from curves, find there is weak negative differential resistance effect. Moreover, high rectifying ratio found spin-up electron AP magnetization, which by transmission spectrum local state. fundamental mechanisms governing these phenomena have been elucidated through systematic analysis spin-resolved spectra spin-polarized pathways. These extend design principles spin-controlled electronics beyond graphene-based systems, offering universal strategy manipulating currents interfaces. ideal efficiency tunable rectification suggest potential applications energy-efficient spintronic logic gates non-volatile memory devices, while methodology provides framework optimizing hybrid organic–inorganic nanoarchitectures. Our findings such systems promising candidates future applications.

Language: Английский

Nanoarchitectonics and Theoretical Evaluation on Electronic Transport Mechanism of Spin-Filtering Devices Based on Bridging Molecules DOI Creative Commons
Haiyan Wang, Shuaiqi Liu, Chao Wu

et al.

Nanomaterials, Journal Year: 2025, Volume and Issue: 15(10), P. 759 - 759

Published: May 18, 2025

By combining density functional theory with the non-equilibrium Green’s function method, we conducted a first-principles investigation of spin-dependent transport properties in molecular device featuring dynamic covalent chemical bridge connected to zigzag graphene nanoribbon electrodes. The effects spin-filtering and spin-rectifying on I–V characteristics are revealed explained for proposed device. Interestingly, our results demonstrate that all three devices exhibit significant single-spin-filtering behavior parallel (P) magnetization dual-spin-filtering antiparallel (AP) configurations, achieving nearly 100% efficiency. At same time, from curves, find there is weak negative differential resistance effect. Moreover, high rectifying ratio found spin-up electron AP magnetization, which by transmission spectrum local state. fundamental mechanisms governing these phenomena have been elucidated through systematic analysis spin-resolved spectra spin-polarized pathways. These extend design principles spin-controlled electronics beyond graphene-based systems, offering universal strategy manipulating currents interfaces. ideal efficiency tunable rectification suggest potential applications energy-efficient spintronic logic gates non-volatile memory devices, while methodology provides framework optimizing hybrid organic–inorganic nanoarchitectures. Our findings such systems promising candidates future applications.

Language: Английский

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