First-principles electronic structrure study of substitution of Sb with Sn and Te in CsV₃Sb₅

Kagome metals attract a lot of attention due to their fascinating electronic structures. Owing to their special geometry and depending on the degree of electron filling in their lattices, these materials are predicted to host a variety of instabilities like superconductivity, spin liquid states, charge density waves (CDW), and more. One of the recently discovered non-magnetic kagome metals is AV₃Sb₅ (A = K, Rb, Cs). This family of layered metals exhibits CDW, unconventional superconductivity and Z₂-type band topology which believed to arise due to the proximity of saddle points in the vicinity of Fermi level. Among all the compounds, CsV₃Sb₅ is the heaviest member of the family which exhibits superconductivity at 2.5 K and a CDW transition at 94 K. Here, using the first-principles study, we analyzed the substitution of Sb atoms with Sn and Te. We used Density functional theory (DFT) calculations to gain insight into the electronic states and explore the impact of doping on band structure and CDW states in these compounds.