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By making use of the φ-mapping topological current theory, this paper shows that the Gauss-Bonnet-Chern density (the Euler-Poincaré characteristic χ(M) density) can be expressed in terms of a smooth vector field φ and take the form of δ(φ), which means that only the zeros of φ contribute to χ(M). This is the elementary fact of the Hopf theorem. Furthermore, it presents that a new topological tensor current of -branes can be derived from the Gauss-Bonnet-Chern density. Using this topological current, it obtains the generalized Nambu action for multi -branes. 相似文献
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采用基于密度泛函理论的平面波赝势方法,在局域密度近似下采用线性响应的密度泛函微扰理论研究了具有六角结构的BaVS3化合物的晶格动力学性质,得到了整个声子谱.计算得到的Γ点拉曼频率和实验数据进行了比较,其中E22g模、A1g模和实验测量值符合得比较好.对于E32g模,采用线性响应计算的结果与实验值差别较大.对该模应用冻结声子方法研究后认为差异主要是由于E32g模的较强的非谐性引起的.此外V原子在平面内的振动模E12u出现了虚频.虚频的出现预示着六角相的BaVS3结构的不稳定性,从而很好地解释了该材料由六角相到正交相的结构相变.
关键词:
晶格动力学
密度泛函
赝势方法
3')" href="#">BaVS3 相似文献
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采用基于密度泛函理论的平面波赝势方法,在局域密度近似下采用线性响应的密度泛函微扰理论研究了具有六角结构的BaVS3化合物的品格动力学性质,得到了整个声子谱.计算得到的г点拉曼频率和实验数据进行了比较,其中E22g模、A1g模和实验测量值符合得比较好.对于E32g模,采用线性响应计算的结果与实验值差别较大.对该模应用冻结声子方法研究后认为差异主要是由于E32g模的较强的非谐性引起的.此外V原子在平面内的振动模E12g出现了虚频.虚频的出现预示着六角相的BaVS3结构的不稳定性,从而很好地解释了该材料由六角相到正交相的结构相变. 相似文献
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Based on Duan's topological current theory, we show that in a ferromagnetic spin-triplet superconductor there is a topological defect of string structures which can be interpreted as vortex lines. Such defects are different from the Abrikosov vortices in one-component condensate systems. We investigate the inner topological structure of the vortex lines. The topological charge density, velocity, and topological current of the vortex lines can all be expressed in terms of δ function, which indicates that the vortices can only arise from the zero points of an order parameter field. The topological charges of vortex lines are quantized in terms of the Hopf indices and Brouwer degrees of φ-mapping. The divergence of the self-induced magnetic field can be rigorously determined by the corresponding order parameter fields and its expression also takes the form of a δ-like function. Finally, based on the implicit function theorem and the Taylor expansion, we conduct detailed studies on the bifurcation of vortex topological current and find different directions of the bifurcation. 相似文献
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探索等离子增强化学气相沉积(PECVD)技术中含氢碳膜的生长机理, 制备出常态超润滑含氢碳膜是表面工程技术领域的目标之一. 基于REBO势函数, 采用分子动力学模拟方法, 通过对比研究CH基团在清洁金刚石和吸氢金刚石表面的沉积行为, 发现低能量CH基团在清洁金刚石(111)面上的吸附效率大于98%, 而在吸氢金刚石(111)面上的吸附效率低于1%. 结果表明PECVD法制备含氢碳膜时, 低能量CH基团对薄膜生长的贡献主要来自于其在表面非饱和C位置的选择性吸附. 相似文献