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

TL;DR

This theoretical study predicts that 1T-RhSeTe is a promising topological superconductor with a critical temperature around 4.6 K, exhibiting strong electron-phonon coupling and non-trivial topological electronic states.

Contribution

The paper introduces 1T-RhSeTe as a novel TMD superconductor with topological states, supported by theoretical calculations of its electron-phonon interactions and topological properties.

Findings

Electron-phonon coupling constant λ = 2.02

Critical temperature T_c ≈ 4.61 K

Presence of Dirac-like band crossings

Abstract

Transition metal dichalcogenides (TMDs), exhibit a range of crystal structures and topological quantum states. The 1$T$ phase, in particular, shows promise for superconductivity driven by electron-phonon coupling, strain, pressure, and chemical doping. In this theoretical investigation, we explore 1$T$-RhSeTe as a novel type of TMD superconductor with topological electronic states. The optimal doping structure and atomic arrangement of 1$T$-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 1$T$-RhSeTe, resulting in total EPC constant $\lambda$ = 2.02, the logarithmic average frequency $\omega_{\text{log}}$ = 3.15 meV and $T_c$ = 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 1$T$-RhSeTe are confirmed via the evolution of Wannier charge centers (WCCs). Collectively, these distinctive properties underscore 1$T$-RhSeTe as a possible candidate for a topological superconductor, warranting further investigation into its potential implications and applications.