Superconductivity and topological properties in the kagome metals CsM3Te5 (M=Ti, Zr, Hf): A first-principles investigation
Jian-Guo Si, Lan-Ting Shi, Peng-Fei Liu, Ping Zhang, Bao-Tian Wang
DOI 10.1103/PhysRevB.106.214527 · Physical Review B
Active bibliographic source — not scientific approval
Bibliographic access preserves source history; it does not approve extracted materials or validate reported claims. Review warnings on each occurrence separately.
Abstract
Inspired by the discovery and fascinating properties of kagome metals AV3Sb5 (A= K, Rb, Cs), we investigate the superconductivity and topological properties of the AV3Sb5-prototype kagome materials CsM3Te5 (M=Ti, Zr, Hf) using first-principles calculations. The calculated results of formation energy and phonon dispersion indicate that this family of kagome materials are stable and may be synthesized in experiments. By analytically solving the Allen-Dynes-modified McMillan formula, the superconducting critical temperatures for CsTi3Te5, CsZr3Te5, and CsHf3Te5 are predicted as 8.02, 5.47, and 3.51 K, respectively. The electron-phonon couplings are dominated by the coupling between the in-plane atomic vibrational modes and the in-plane electronic orbitals. In addition, the CsZr3Te5 and CsHf3Te5 can be categorized as Z2 topological metals according to the calculations of topological invariant and surface states. Such coexistence of superconductivity and nontrivial topological properties in CsZr3Te5 and CsHf3Te5 are beneficial to study the interaction between superconductivity and nontrivial band character.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| CsTi3Te5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 8.02 | Pressure not reported | unknown |
| CsZr3Te5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 5.47 | Pressure not reported | unknown |
| CsHf3Te5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 3.51 | Pressure not reported | unknown |
| KV3Sb5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 0.93 | Pressure not reported | unknown |
| RbV3Sb5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 0.92 | Pressure not reported | unknown |
| CsV3Sb5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 2.5 | Pressure not reported | unknown |
| CsZr3Te5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 1.27 | Pressure not reported | unknown |
Similar papers
Charge Density Waves and Electronic Properties of Superconducting Kagome Metals
similarity 0.97Hengxin Tan et al.
Source status unknown — claims are unverified
Superconducting properties of the Ti-doped KV3Sb5 kagome compound
similarity 0.96Kyryl Shtefiienko et al.
Source status unknown — claims are unverified
Prediction of a kagome topological superconducting family: XB3 (X=Ni, Pd)
similarity 0.96Peng-Cheng Xiao et al.
Source status unknown — claims are unverified
Charge Density Wave Order and Fluctuations above TCDW and below Superconducting Tc in the Kagome Metal CsV3Sb5
similarity 0.96Q. Chen et al.
Source status unknown — claims are unverified
Double-dome superconductivity under pressure in the V-based kagome metals AV3Sb5 (A=Rb and K)
similarity 0.96C. C. Zhu et al.
Source status unknown — claims are unverified
Competition between charge-density-wave and superconductivity in the kagome metal RbV3Sb5
similarity 0.96N. N. Wang et al.
Source status unknown — claims are unverified