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石墨烯条带的电子结构与性质:电场及长度效应 总被引:1,自引:0,他引:1
在密度泛函理论(DFT)和含时密度泛函理论(TDDFT)的基础上对宽度上含有8个zigzag链的石墨烯条带(8-ZGNR)的基态和激发态的性质进行了理论研究,着重考察了条带长度及电场的影响.B3LYP杂化泛函的计算结果显示:在基态上,8-ZGNR的最低能量态并不具有磁性,随着长度的增加,才会显示出反铁磁的性质.静电场的加入使8-ZGNR显示出反铁磁性和半金属性.在激发态上,诱导电子会随着外激光脉冲的变化而发生移动和变化,但是相比而言,α自旋电子更容易被激发而产生较明显的诱导电子密度,而β自旋电子则更容易脱离外激光场的控制而产生非绝热现象. 相似文献
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The inelastic electron tunneling spectroscopy of edge-modified graphene nanoribbon-based molecular devices 下载免费PDF全文
The inelastic electron tunneling spectroscopy(IETS) of four edge-modified finite-size grapheme nanoribbon(GNR)-based molecular devices has been studied by using the density functional theory and Green's function method. The effects of atomic structures and connection types on inelastic transport properties of the junctions have been studied. The IETS is sensitive to the electrode connection types and modification types. Comparing with the pure hydrogen edge passivation systems, we conclude that the IETS for the lower energy region increases obviously when using donor–acceptor functional groups as the edge modification types of the central scattering area. When using donor–acceptor as the electrode connection groups, the intensity of IETS increases several orders of magnitude than that of the pure ones. The effects of temperature on the inelastic electron tunneling spectroscopy also have been discussed. The IETS curves show significant fine structures at lower temperatures. With the increasing of temperature, peak broadening covers many fine structures of the IETS curves.The changes of IETS in the low-frequency region are caused by the introduction of the donor–acceptor groups and the population distribution of thermal particles. The effect of Fermi distribution on the tunneling current is persistent. 相似文献
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为实现行进间罗经法对准,将外参考速度引入,同时设计不同机动方式下的罗经法控制回路参数调节规律提高对准精度、缩短对准时间。首先分析线运动对罗经法对准造成的影响,设计基于外速度辅助的行进间罗经法对准方案;然后利用对准回路传递函数进行误差分析,分析不同机动给对准精度造成的影响;最后提出不同机动方式下的罗经法对准回路控制参数设置规律。仿真结果表明基于外速度辅助的行进间罗经法对准能有效完成捷联惯导在匀速直线运动中的对准。根据设置规律调节对准回路中的控制参数,可以抑制80%以上由载体摇摆造成的低频干扰,将航向误差的振荡幅值降低为原来的1/2,有效提高了对准精度。 相似文献
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5•12汶川大地震震后,对四川省巴州区次生地质灾害应急调查表明,地质构造和地形地貌是巴州区地质灾害形成的主导因素,降雨是地质灾害的主要诱发因素。巴州区主要的地质灾害类型为崩塌和滑坡,其中崩塌的危害性较大。现场调查表明,巴州区崩塌地质灾害类型以岩质崩塌为主,滑坡地质灾害类型以残积层滑坡为主,主要分布在构造侵蚀中低山和侵蚀剥蚀桌状低山地貌区。5•12汶川地震对潜在的崩塌危岩体的稳定性有不良的影响。 相似文献
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本文采用脂质体/水分配系统来考察pH、磷脂的种类和荷电性对药物与有序磷脂膜结合的影响. 相似文献