【摘 要】
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By applying nonequilibrium Greens function formalism in combination with density functional theory, we have investigated the electronic transport properties of Dehydrobenzoannulenne molecule attached
【机 构】
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School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, Peo
【出 处】
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第十三届国际凝聚态理论与计算材料学会议(The 13th International Conference on Con
论文部分内容阅读
By applying nonequilibrium Greens function formalism in combination with density functional theory, we have investigated the electronic transport properties of Dehydrobenzoannulenne molecule attached to different positions of the zigzag graphene nanoribbons (ZGNRs) electrode.The different contact positions are found to drastically turn the transport properties of these systems.The negative differential resistance (NDR) effect can be found when the ZGNRs electrodes are mirror symmetry under the xz midplane, and the mechanism of NDR has been explained.Moreover, parity limitation tunneling effect can be found in a certain symmetry two-probe system and it can completely destroy electron tnnneling process.The present findings might be useful for the application of ZGNRs-based molecular devices.
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