Exploring the Interplay Between Pressure, Strain, and Charge Density-Waves in CsV₃Sb₅

The metallic Kagome compound CsV₃Sb₅ has been shown to exhibit pressure-dependent superconducting domes, as well as charge order. However, a complete understanding of how these properties are coupled to crystal symmetry and electronic structure remains elusive. By using density functional theory to explore how perturbations such as hydrostatic pressure and uniaxial strain give rise to changes in the electronic structure, we shed new light on the competition between different patterns of charge density wave ordering in this system, with potential implications for the superconducting behavior. Close attention is paid to how different charge orderings relate to the density of states at the Fermi level and the van Hove singularities at higher energies, as well as to changes in the structural properties.