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    题名: Quantum transport model for zigzag molybdenum disulfide nanoribbon structures : a full quantum framework
    作者: Chen, Chun-Nan;Shyu, Feng-Lin;Chung, Hsien-Ching;Lin, Chiun-Yan;Wu, Jhao-Ying
    关键词: Complex energy band;MoS2 nanoribbon;quantum transport;non-equilibrium Green's function (NEGF);van Hove singularities;conductance quantization
    日期: 2016-08-31
    上传时间: 2016-11-12 02:10:48 (UTC+8)
    出版者: American Institute Physics
    摘要: Mainly based on non-equilibrium Green’s function technique in combination with the three-band model, a full atomistic-scale and full quantum method for solving quantum transport problems of a zigzag-edge molybdenum disulfide nanoribbon (zMoSNR) structure is proposed here. For transport calculations, the relational expressions of a zMoSNR crystalline solid and its whole device structure are derived in detail and in its integrity. By adopting the complex-band structure method, the boundary treatment of this open boundary system within the non-equilibrium Green’s function framework is so straightforward and quite sophisticated. The transmission function, conductance, and density of states of zMoSNR devices are calculated using the proposed method. The important findings in zMoSNR devices such as conductance quantization, van Hove singularities in the density of states, and contact interaction on channel are presented and explored in detail.
    關聯: AIP Advances 6(8), 085123(16 pages)
    DOI: 10.1063/1.4962346
    显示于类别:[物理學系暨研究所] 期刊論文

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