The possible coexistence of superconductivity and topological electronic states in 1T-RhSeTe

Transition metal dichalcogenides (TMDs), exhibit a range of crystal structures and topological quantum states. The 1T phase, in particular, shows promise for superconductivity driven by electron-phonon coupling, strain, pressure, and chemical doping. In this theoretical investigation, we explore 1T-RhSeTe as a novel type of TMD superconductor with topological electronic states. The optimal doping structure and atomic arrangement of 1T-RhSeTe are constructed. Phonon calculations validate the integrity of the constructed doping structure. The analysis of the electron-phonon coupling (EPC) using the Electron-phonon Wannier (EPW) method has confirmed the existence of a robust electron-phonon interaction in 1T-RhSeTe, resulting in total EPC constant = 2. 02, the logarithmic average frequency ₋₎₆ = 3. 15 meV and Tc = 4. 61 K, consistent with experimental measurements and indicative of its classification as a BCS superconductor. The band structure analysis revealed the presence of Dirac-like band crossing points. The topological non-trivial electronic structures of the 1T-RhSeTe are confirmed via the evolution of Wannier charge centers (WCCs). Collectively, these distinctive properties underscore 1T-RhSeTe as a possible candidate for a topological superconductor, warranting further investigation into its potential implications and applications.