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Spin-crossover (SCO) magnets can act as one of the most possible building blocks in molecular spintronics due to their magnetic bistability between the high-spin (HS) and low-spin (LS) states. Here, the electronic structures and transport properties through SCO magnet Fe(II)-N4S2 complexes sandwiched between gold electrodes are explored by performing extensive density functional theory calculations combined with non-equilibrium Green''s function formalism. The optimized Fe-N and Fe-S distances and predicted magnetic moment of the SCO magnet Fe(II)-N4S2 complexes agree well with the experimental results. The reversed spin transition between the HS and LS states can be realized by visible light irradiation according to the estimated SCO energy barriers. Based on the obtained transport results, we observe nearly perfect spin- filtering effect in this SCO magnet Fe(II)-N4S2 junction with the HS state, and the corresponding current under small bias voltage is mainly contributed by the spin-down electrons, which is obviously larger than that of the LS case. Clearly, these theoretical findings suggest that SCO magnet Fe(II)-N4S2 complexes hold potential applications in molecular spintronics. 相似文献
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罗布麻纤维与丙烯酸酯类接枝共聚物结构和性能的研究 总被引:5,自引:0,他引:5
本文以氧化还原体系引发丙烯酸甲酯(MA)、丙烯酸乙酯(EA)、丙烯酸丁酯(BA)与罗布麻纤维的接枝共聚反应,用IR、SEM和X-射线衍射等手段表征了接枝纤维的结构。与纯罗布麻纤维相比较,接枝纤维具有较高的断裂伸长率和较低的杨氏模量,柔顺性增加;耐酸、碱能力随接枝率的增加而提高,但吸湿率不降。 相似文献
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既有的交通运输行业绩效评价指标多是基于单种运输方式进行定义和统计, 不能满足未来以“协同”为典型特征的集装箱运输发展要求. 本文从运输能力、集疏运成本、服务质量和可持续性4个方面入手, 为集装箱港口3种集疏运方式建立统一的绩效评价指标体系. 为了充分反映客观信息和决策者的主观经验, 将层次分析法(主观赋权法)与熵值法(客观赋权法)相结合形成综合集成赋权法计算每个指标的复合权重, 并以宁波舟山港为研究对象, 对方法的合理性和有效性进行了案例验证和敏感性分析. 研究结果与宁波舟山港集疏运发展现状基本一致, 从而验证了指标体系的可行性, 为深入研究未来集装箱多式联运系统绩效评价提供了科学有效的指标依据. 相似文献
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本文基于电子密度泛函理论计算和非平衡态格林函数技术研究了具有三明治结构的磁性隧道结构(非极化SrTiO2薄层被夹在两个赫斯勒合金Co2MnSi电极之间)的自旋极化输运特性. 理论计算结果清楚地表明磁平行组态的磁性隧道结呈现出几乎完美的自旋过滤效应. 磁反平行组态的隧穿系数比磁平行组态的隧穿系数小几个数量级,导致体系的磁阻比高达106. 电子结构计算分析表明该磁性隧道结的巨磁阻效应源自赫斯勒合金Co2MnSi电极内在的半金属性、以及阻挡层和电极之间界面处过渡金属原子3d电子的显著自旋极化. 相似文献
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