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arXiv 2111.09342cond-mat.supr-concond-mat.str-el
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压力和应变下 AV3Sb5 kagome 金属的 Van Hove 调控

Van Hove tuning of AV3Sb5 kagome metals under pressure and strain

Armando Consiglio, Tilman Schwemmer, Xianxin Wu, Werner Hanke, Titus Neupert, Ronny Thomale, Giorgio Sangiovanni, Domenico Di Sante

AI总结:

该研究通过第一性原理计算考察 AV3Sb5 在压力和应变下的结构与电子性质,发现定向应变可将 van Hove 点调至 Fermi 能,为理解关联效应和多穹顶非常规超导提供新途径。

摘要:

基于第一性原理计算,我们研究了 kagome 金属 AV3Sb5(A = Cs、K、Rb)在各向同性和各向异性压力下的结构与电子性质。研究发现,电荷有序模式均受到抑制,同时 p 型和 m 型 van Hove 点相对于 Fermi 能级的能量发生显著重排。我们发现,即使仅沿 V 平面施加适度拉伸应变,并在垂直于 V 层方向施加压缩应变,也可将一个 van Hove 点移至 Fermi 能。该机制提供了一个极有价值的调控手段,用于改变 kagome 金属中的关联分布,并适合进一步实验研究。它或许能够不仅从声子角度,而且从非常规配对的角度,调和 kagome 金属中可能存在的多穹顶超导性。

英文摘要:

From first-principles calculations, we investigate the structural and electronic properties of the kagome metals AV3Sb5 (A = Cs, K, Rb) under isotropic and anisotropic pressure. Charge ordering patterns are found to be unanimously suppressed, while there is a significant rearrangement of p-type and m-type van Hove point energies with respect to the Fermi level. Already for moderate tensile strain along the V plane and compressive strain normal to the V layer, we find that a van Hove point can be shifted to the Fermi energy. Such a mechanism provides an invaluable tuning knob to alter the correlation profile in the kagome metal, and suggests itself for further experimental investigation. It might allow to reconcile possible multi-dome superconductivity in kagome metals not only from phonons, but also from the viewpoint of unconventional pairing.

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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