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arXiv 2105.01397cond-mat.supr-concond-mat.mtrl-scicond-mat.str-el
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Sb在超导可果美金属CsV $_3$ Sb $_5$中的作用

Role of Sb in the superconducting kagome metal CsV$_3$Sb$_5$ revealed by its anisotropic compression

Alexander A. Tsirlin, Pierre Fertey, Brenden R. Ortiz, Berina Klis, Valentino Merkl, Martin Dressel, Stephen D. Wilson, Ece Uykur

摘要:

用单晶X射线衍射和密度泛函能带计算研究了可果美超导金属CsV $_3$ Sb $_5$的压强演化。观察到高达5 GPa的高度各向异性的压缩归因于快速收缩的Cs-Sb距离和抑制Cs的晃动运动。这可以防止锑位移所需的稳定的三维电荷密度波(CDW)的顺序,并阐明了消失的CDW已经在2 GPa,尽管只有轻微的变化,在正常状态的电子结构。在较高的压力下,钒带仍然只有轻微的变化,而锑带经历了一个主要的重建所造成的逐渐形成的层间Sb-Sb键。我们的研究结果排除了钒kagome能带的压力调谐作为现实世界中kagome金属超导性非平凡演化的主要机制。同时,我们建立了中心作用的Sb原子的稳定的三维CDW和费米表面重建。

英文摘要:

Pressure evolution of the superconducting kagome metal CsV$_3$Sb$_5$ is studied with single-crystal x-ray diffraction and density-functional band-structure calculations. A highly anisotropic compression observed up to 5 GPa is ascribed to the fast shrinkage of the Cs-Sb distances and suppression of Cs rattling motion. This prevents Sb displacements required to stabilize the three-dimensional charge-density-wave (CDW) order and elucidates the disappearance of the CDW already at 2 GPa despite only minor changes in the electronic structure of the normal state. At higher pressures, vanadium bands still change only marginally, whereas antimony bands undergo a major reconstruction caused by the gradual formation of the interlayer Sb-Sb bonds. Our results exclude pressure tuning of vanadium kagome bands as the main mechanism for the non-trivial evolution of superconductivity in real-world kagome metals. Concurrently, we establish the central role of Sb atoms in the stabilization of a three-dimensional CDW and Fermi surface reconstruction.

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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