Magnetism and weak electronic correlations in Kagome metal ScV6Sn6

Abstract

As one class of typical quantum materials, Kagome metals in AV3Sb5(A = K, Rb, Cs) have attracted extensive attentions due to their interesting physical properties and different quantum phases of charge density wave (CDW), superconductivity and nontrivial topology. Recently, a new CDW phase in ScV6Sn6 was experimentally observed and inspired a wide study of the mechanism of driving force. To have a clear understanding of the correlation effect in the CDW phase in ScV6Sn6, we performed a systematic density functional theory plus dynamical mean field theory (DFT + DMFT) calculations. The resulting static local spin susceptibility is nearly independent of temperature, indicating the absence of local moment on atom V, in full agreement with experimental measurements. The mass enhancements of quasiparticles and bandwidth renormalizations near the Fermi level show a weak correlation strength in ScV6Sn6. In addition, the comparable mass enhancements of quasiparticles in ScV6Sn6 with CDW order and YV6Sn6 without CDW phase suggests that electronic correlations corresponding to Fermi surface nesting do not play the dominant role in the formation of CDW order in ScV6Sn6.

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