论文标题

抑制类似Peierls的固体中的基于嵌套的不稳定性

Suppression of Peierls-like, nesting-based instabilities in solids

论文作者

Derriche, Nassim, Elfimov, Ilya, Sawatzky, George

论文摘要

对晶格不稳定性的理解在材料科学中至关重要。著名的例子是一维金属的PEIERLS不稳定,以及在两个和三个维度上的强烈狭窄的费米表面。通过对频带理论中的H和LI链的分析,我们发现波形的Bloch波性质,如果涉及对相对原子态的强k依赖性杂交,则强烈抑制敏感性峰值和相关的不稳定性,因此对于搜索具有强对外部逆转材料的材料的搜索而言至关重要。

The understanding of lattice instabilities is of vast importance in material science. The famous example is the Peierls instability of one-dimensional metals and for strongly-nested Fermi surfaces in two and three dimensions. Through an analysis of H and Li chains in band theory, we find that the Bloch wave nature of the wavefunctions, if involving strong k-dependent hybridization of oppositeparity atomic states, strongly suppresses susceptibility peaks and associated instabilities and is thus essential to consider in searching for materials with strong responses to external perturbations.

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