Flat-band enhanced antiferromagnetic fluctuations and superconductivity in pressurized CsCr<sub>3</sub>Sb<sub>5</sub>.

Wu, Siqi; Xu, Chenchao; Wang, Xiaoqun; Lin, Hai-Qing; Cao, Chao; Cao, Guang-Han · Nat Commun · 2025

basic_science · Level V

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Abstract

The spin dynamics and electronic orders of the kagome system at different filling levels stand as an intriguing subject in condensed matter physics. By first-principles calculations and random phase approximation analyses, we investigate the spin fluctuations and superconducting instabilities in kagome phase of CsCr<sub>3</sub>Sb<sub>5</sub> under high pressure. At the filling level slightly below the kagome flat bands, our calculations reveal strong antiferromagnetic spin fluctuations in CsCr<sub>3</sub>Sb<sub>5</sub>, together with a leading s<sub>±</sub>-wave and a competing (d<sub>xy</sub>, <math xmlns="http://www.w3.org/1998/Math/MathML"> <msub><mrow><mi>d</mi></mrow> <mrow> <msup><mrow><mi>x</mi></mrow> <mrow><mn>2</mn></mrow> </msup> <mo>-</mo> <msup><mrow><mi>y</mi></mrow> <mrow><mn>2</mn></mrow> </msup> </mrow> </msub> </math> )-wave superconducting order. Unlike the general intuition that the flat bands are closely related to the ferromagnetic correlations, here we propose a sublattice-momentum-coupling-driven mechanism for the antiferromagnetic fluctuations enhanced from the unoccupied flat bands. The mechanism is generally applicable to kagome systems where the Fermi level intersects near the flat bands, offering a new perspective for future studies of geometrically frustrated systems.