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arXiv 1409.6399cond-mat.mes-hall
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非中心对称拓扑绝缘体的Weyl半金属

Weyl semimetals from noncentrosymmetric topological insulators

Jianpeng Liu, David Vanderbilt

摘要:

研究了三维拓扑绝缘体到无反转对称的正常绝缘体的相变问题。与前人的结论不同,我们证明了Weyl半金属总是以中间相的形式存在,而不受晶格对称性的任何约束,尽管临界区的区间对参数空间中路径的选择很敏感,而且可能很窄.我们通过对非中心对称的拓扑绝缘体LaBiTe $_3$和LuBiTe $_3$以及平凡绝缘体BiTeI进行第一性原理计算来证明这种行为。发现在$x\!\approx\!38.5-41.9$和$x\!\approx\!40.5-45.1$的LaBi $_{1-x}$ Sb $_x$ Te $_3$和LuBi $_{1-x}$ Sb $_x$ Te $_3$固溶体中分别存在一个坚固的Weyl半金属相.一个低能有效的模型也被构造来描述这两种材料的临界行为。在BiTeI中,外尔半金属也会在压力下出现,但只在很小的压力范围内,这可以解释为什么它没有被实验观察到。

英文摘要:

We study the problem of phase transitions from 3D topological to normal insulators without inversion symmetry. In contrast with the conclusions of some previous work, we show that a Weyl semimetal always exists as an intermediate phase regardless of any constriant from lattice symmetries, although the interval of the critical region is sensitive to the choice of path in the parameter space and can be very narrow. We demonstrate this behavior by carrying out first-principles calculations on the noncentrosymmetric topological insulators LaBiTe$_3$ and LuBiTe$_3$ and the trivial insulator BiTeI. We find that a robust Weyl-semimetal phase exists in the solid solutions LaBi$_{1-x}$Sb$_x$Te$_3$ and LuBi$_{1-x}$Sb$_x$Te$_3$ for $x\!\approx\!38.5-41.9$\% and $x\!\approx\!40.5-45.1$\% respectively. A low-energy effective model is also constructed to describe the critical behavior in these two materials. In BiTeI, a Weyl semimetal also appears with applied pressure, but only within a very small pressure range, which may explain why it has not been experimentally observed.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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