排序方式: 共有12条查询结果,搜索用时 15 毫秒
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采用直接动力学的方法,对多通道反应体系Br+CH3S(O)CH3进行了理论研究.在BH&H-LYP/6-311G(2d,2p)水平下获得了优化几何构型、频率及最小能量路径(MEP),能量信息的进一步确认在MC-QCISD(单点)水平下完成.利用正则变分过渡态理论,结合小曲率隧道效应校正(CVT/SCT)方法计算了该反应的两个可行的反应通道在200K~2000K温度范围内的速率常数.在整个反应区间内,生成HBr的反应通道与生成CHa的反应通道存在着竞争,前者是主反应通道,后者是次反应通道.变分效应和小曲率隧道效应对反应速率常数的计算影响都很小.理论计算得到的两个反应通道的反应速率常数与实验值符合得很好. 相似文献
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"石墨电子结构和输运特性"专题研讨会于2008年4月11-13日在山东青岛举行,会议由复旦大学物理系,南京大学物理系和青岛大学物理学院联合主办,受到国家自然科学基金委及国家量子调控重大科学研究计划(2006CB921800)资助. 相似文献
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用数值方法研究了拓扑绝缘体薄膜体系在外加垂直磁场 作用下其边缘态的性质. 磁场的加入通过耦合k+eA, 即Peierls势替换关系和 该作用导致的Zeeman交换场体现在哈密顿量中. 考虑窄条圆环状结构的二维InAs/GaSb/AlSb薄膜量子阱材料, 当其处于拓扑非平庸状态, 即量子自旋霍尔态时, 会出现受时间反演对称性保护的两支简并边缘态, 而在垂直磁场的作用下, 时间反演对称性被破坏, 这时能带将形成一条条的朗道能级, 原来简并的两支边缘态也会分开到朗道能级谱线的两侧, 从电子态密度的空间分布情况则可以看到边缘态分别局域在材料的两个边界. 随着磁场的增大, 位于同一边界上的不同 自旋极化的边缘态将出现分离: 一支仍然局域在边缘, 另一支则随外加磁场的增加而有逐渐演化到材料内部的趋势. 文中还计算了同一边界上的两支边缘态之间的散射, 结果表明由于两个边缘态在空间发生分离, 相互之间的散射被很大的压制, 得到了其散射随磁场增加没有明显变化的结论, 所以磁场并不会增强散射过程, 也没有破坏体拓扑材料的性质, 说明了量子自旋霍尔态在没有时间反演对称的情况下也可以有较强的稳定性. 相似文献
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The quantum spin Hall (QSH) effect is considered to be unstable to perturbations violating the time-reversal (TR) symmetry. We review some recent developments in the search of the QSH effect in the absence of the TR symmetry. The possibility to realize a robust QSH effect by artificial removal of the TR symmetry of the edge states is explored. As a useful tool to characterize topological phases without the TR symmetry, the spin-Chern number theory is introduced. 相似文献
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Unified semiclassical approach to electronic transport from diffusive to ballistic regimes 下载免费PDF全文
We show that by integrating out the electric field and incorporating proper boundary conditions,a Boltzmann equation can describe electron transport properties,continuously from the diffusive to ballistic regimes.General analytical formulas of the conductance in D = 1,2,3 dimensions are obtained,which recover the Boltzmann–Drude formula and Landauer–B ¨uttiker formula in the diffusive and ballistic limits,respectively.This intuitive and efficient approach can be applied to investigate the interplay of system size and impurity scattering in various charge and spin transport phenomena,when the quantum interference effect is not important. 相似文献
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Generalization of the theory of three-dimensional quantum Hall effect of Fermi arcs in Weyl semimetal 下载免费PDF全文
Mingqi Chang 《中国物理 B》2022,31(5):57304-057304
The quantum Hall effect (QHE), which is usually observed in two-dimensional systems, was predicted theoretically and observed experimentally in three-dimensional (3D) topological semimetal. However, there are some inconsistencies between the theory and the experiments showing the theory is imperfect. Here, we generalize the theory of the 3D QHE of Fermi arcs in Weyl semimetal. Through calculating the sheet Hall conductivity of a Weyl semimetal slab, we show that the 3D QHE of Fermi arcs can occur in a large energy range and the thickness dependences of the QHE in different Fermi energies are distinct. When the Fermi energy is near the Weyl nodes, the Fermi arcs give rise to the QHE which is independent of the thickness of the slab. When the Fermi energy is not near the Weyl nodes, the two Fermi arcs form a complete Fermi loop with the assistance of bulk states giving rise to the QHE which is dependent on the sample thickness. We also demonstrate how the band anisotropic terms influence the QHE of Fermi arcs. Our theory complements the imperfections of the present theory of 3D QHE of Fermi arcs. 相似文献
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The Chern number is often used to distinguish different topological phases of matter in two-dimensional electron systems. A fast and efficient coupling-matrix method is designed to calculate the Chern number in finite crystalline and disordered systems. To show its effectiveness, we apply the approach to the Haldane model and the lattice Hofstadter model, and obtain the correct quantized Chern numbers. The disorder-induced topological phase transition is well reproduced, when the disorder strength is increased beyond the critical value. We expect the method to be widely applicable to the study of topological quantum numbers. 相似文献
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基于光学子波变换的SDF匹配滤波器 总被引:2,自引:1,他引:2
提出了一种基于光学子波变换的综合判别函数匹配滤波器(WFSDF),将光学子波变换和综合判别函数相结合,只用一个简单的4f系统就能实现输入图像和SDF子波变换的相关运算。采用计算全息的方法制作复数匹配滤波器。计算机模拟仿真结果表明,与传统的SDF匹配滤波器相比,WFSDF匹配滤波器,锐化了相关峰,提高了识别率,同时简化了光路,能够实现多目标的畸不变识别。 相似文献