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中国物理学会期刊

不对称边缘修饰石墨烯/硅烯纳米条带中的光诱导纯自旋流

Photo-induced pure spin current in graphene/silicene nanoribbons with asymmetric edge functionalization

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  • 光学伽伐尼效应(Photogalvanic Effect,PGE)已被证明可以在具有空间反演对称性的低维自旋器件中诱导不受光子能量(Photon Energy,E_\mathrmph)或入射光偏振/相角(\theta/\varphi)限制的纯自旋流。本文采用基于密度泛函理论的第一性原理和非平衡格林函数方法,通过氢原子和卤素原子(F、\mathrmCl、\mathrmBr)对锯齿形石墨烯和硅烯纳米条带进行不对称边缘钝化,其电子性能的研究表明F-2H 6ZCNR、F-2H 6ZSiNR、Cl-2H 6ZSiNR、Br-2H 6ZSiNR四种结构都属于双极化自旋半导体。以此为基础设计具有空间反演对称结构的光电器件,并用不同E_\mathrmph和\theta/\varphi的线偏振光(Linearly Polarized Light,LPL)和椭圆偏振光(Elliptically Polarized Light,EPL)照射中心区域,发现器件都有纯自旋流产生,并且不依赖于光的偏振类型、E_\mathrmph和\theta/\varphi。这种纯自旋流产生的鲁棒性源于器件结构的双极化自旋态和空间反演对称性,研究结果为下一代自旋器件、量子计算和纳米传感的设计提供了新的方案。

    The photogalvanic effect (PGE) has been demonstrated to induce pure spin current in low-dimensional spintronic devices with spatial inversion symmetry, independent of photon energy (Eph) or incident light polarization/phase angles (θ/φ). The electronic properties of one-dimensional systems can be effectively modulated via edge passivation, making them more conducive to realizing pure spin current. This study utilizes first-principles calculations based on density functional theory and the non-equilibrium Green's function method to systematically investigate zigzag graphene and silicene nanoribbons with asymmetric edge passivation by hydrogen and halogen atoms (F, Cl, Br). The calculation results of the band structure, density of states, and magnetic moment reveal that four structures—F-2H 6ZCNR, F-2H 6ZSiNR, Cl-2H 6ZSiNR and Br-2H 6ZSiNR possess two strongly localized, fully spin-polarized (100% spin polarization) states with opposite spin orientations near the Fermi level, classifying them as bipolar spin semiconductors. Based on these structures, optoelectronic devices with spatial inversion symmetry were designed. The study reveals that upon irradiating the device's central region with linearly polarized light (LPL) or elliptically polarized light (EPL) at varied photon energies (Eph) and incidence angles (θ/φ), photocurrents emerge in both spin channels with equal magnitude but opposite directions when the photon energy exceeds the spin band gap. This makes the total charge current zero but maintains the finite spin current, indicating the successful generation of the pure spin current. Notably, this pure spin current is independent of light polarization type, Eph and θ/φ. The further analysis of the spin density distribution, band structure and spatial inversion symmetry elucidates the physical mechanism underlying the pure spin current generation. The robustness of the pure spin current arises from the intrinsic bipolar spin states and spatial inversion symmetry of the device. These findings not only theoretically clarify a feasible approach for achieving pure spin current in one-dimensional graphene and silicene nanoribbons but also present a promising strategy for advancing next-generation spintronic devices, quantum computation and nanosensing technologies.

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