Anisotropy modulation and band structure reconstruction induced by high pressure in Kagome metal GdV6Sn6

The geometric frustrations and unique electronic structures in Kagome lattices normally give rise to various quantum matter ground states. V-based Kagome compounds, such as A V 3 Sb 5 , exhibit a complex phase diagram under hydrostatic pressure modulation. Herein, we report an electronic structure evolution in another novel V-Kagome system R V 6 Sn 6 , with pressures changing from 0 to 107 GPa, through density functional calculations. Our results reveal that the electronic density of GdV 6 Sn 6 exhibits pronounced anisotropy under high pressure. Specifically, electronic structure instabilities stem from van Hove singularities are observed in the V-Kagome plane, while that remains robust up to approximately 40 GPa in the M momentum space. In the high-pressure regime ( ∼ 107 GPa), the newly formed saddle point approaches and crosses the Fermi level, enhancing the density of states (DOS) at the Fermi level. This potentially results in pressure-induced superconductivity, accompanied by the formation of charge channels. Our findings provide essential insights into the electronic structure of GdV 6 Sn 6 under high pressures, offering a valuable model for investigating V-Kagome physics in R V 6 Sn 6 compounds.