Optical spectroscopy and band structure calculations of the structural phase transition in the vanadium-based kagome metal ScV6Sn6

In condensed matter physics, materials with kagome lattice display a range of exotic quantum states, including charge density wave (CDW), superconductivity, and magnetism. Recently, the intermetallic kagome metal ScV6Sn6 was discovered to undergo a first-order structural phase transition with the formation of a 3 x 3 x 3 CDW at around 92 K. The bulk electronic band properties are crucial to understanding the origin of the structural phase transition. Here, we conducted an optical spectroscopy study in combination with band structure calculations across the structural transition. Our findings showed abrupt changes in the optical reflectivity/conductivity spectra as a result of the structural transition, without any observable gap formation behavior. The optical measurements and band calculations actually reveal a sudden change of the band structure after transition. It is important to note that this phase transition is of the first-order type, which distinguishes it from conventional density-wave type condensations. Our results provide an insight into the origin of the structural phase transition in this new and unique kagome lattice intermetallic material.