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Real Space Theory for Electron and Phonon Transport in Aperiodic Lattices via Renormalization

机译:通过重整化在非周期性格子中的电子和声子输送的真实空间理论

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摘要

Structural defects are inherent in solids at a finite temperature, because they diminish free energies by growing entropy. The arrangement of these defects may display long-range orders, as occurring in quasicrystals, whose hidden structural symmetry could greatly modify the transport of excitations. Moreover, the presence of such defects breaks the translational symmetry and collapses the reciprocal lattice, which has been a standard technique in solid-state physics. An alternative to address such a structural disorder is the real space theory. Nonetheless, solving 1023 coupled Schrodinger equations requires unavailable yottabytes (YB) of memory just for recording the atomic positions. In contrast, the real-space renormalization method (RSRM) uses an iterative procedure with a small number of effective sites in each step, and exponentially lessens the degrees of freedom, but keeps their participation in the final results. In this article, we review aperiodic atomic arrangements with hierarchical symmetry investigated by means of RSRM, as well as their consequences in measurable physical properties, such as electrical and thermal conductivities.
机译:结构缺陷在有限温度下固有固体,因为它们通过种植熵来减少自由能量。这些缺陷的布置可以显示长距离的顺序,如在拟CryStals中发生的,其隐藏的结构对称可以大大修改激发的运输。此外,这种缺陷的存在破坏了平移对称性并坍塌了往复晶格,这是固态物理学中的标准技术。解决这种结构障碍的替代方案是真实的空间理论。尽管如此,求解1023耦合的Schrodinger方程,只需要记录原子位置的内存不可用的yottabytes(YB)。相比之下,实时空间重整化方法(RSRM)使用每个步骤中具有少量有效站点的迭代过程,并指数缩小了自由度,而是减少他们参与最终结果。在本文中,我们审查了通过RSRM研究的分层对称的非周期性原子布置,以及它们在可测量的物理性质(例如电气和导热率)中的后果。

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