Abstract
The kagomé metals RbTi3Bi5 and CsTi3Bi5 were synthesized both as polycrystalline powders by heating the elements in an argon atmosphere and as single crystals grown using a self-flux method. The compounds crystallize in the hexagonal crystal system isotypically to KV3Sb5 (P6/mmm, Z = 1, CsTi3Bi5: a = 5.7873(1), c = 9.2062(1) Å; RbTi3Bi5: a = 5.773(1), c = 9.065(1) Å). The titanium atoms form a kagomé net with bismuth atoms in the hexagons as well as above and below the triangles. The alkali metal atoms are coordinated by 12 bismuth atoms and form AlB2-like slabs between the kagomé layers. Magnetic susceptibility measurements with CsTi3Bi5 and RbTi3Bi5 single crystals reveal Pauli-paramagnetism and traces of superconductivity caused by CsBi2/RbBi2 impurities. Magnetotransport measurements reveal conventional Fermi liquid behavior and quantum oscillations indicative of a single dominant orbit at low temperature. DFT calculations show the characteristic metallic kagomé band structure similar to that of CsV3Sb5 with reduced band filling. A symmetry analysis of the band structure does not reveal an obvious and unique signature of a nontrivial topology.
| Original language | English |
|---|---|
| Pages (from-to) | 757-764 |
| Number of pages | 8 |
| Journal | Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences |
| Volume | 77 |
| Issue number | 11-12 |
| DOIs | |
| State | Published - Dec 1 2022 |
| Externally published | Yes |
Funding
Research funding: This work was financially supported by the German Research Foundation (DFG) and the Bavaria California Technology Center (BaCaTeC, Grant 7 [2021-2]). The authors acknowledge the computational and data resources provided by the Leibniz Supercomputing Centre ( www.lrz.de ). We gratefully thank Maia Garcia-Vergniory and Iñigo Robredo for useful advice. R.S. and A.H. acknowledge support from the National Science Foundation (NSF) through Enabling Quantum Leap: Convergent Accelerated Discovery Foundries for Quantum Materials Science, Engineering and Information (Q-AMASE-i): Quantum Foundry at UC Santa Barbara (Grant No. DMR-1906325). The use of shared facilities of the NSF Materials Research Science and Engineering Center at UC Santa Barbara Grant No. DMR-1720256, a member of the Materials Research Facilities Network is acknowledged. S.D.W. and B.R.O. acknowledge support by the US Department of Energy Office of Basic Energy Sciences, Division of Materials Science and Engineering under award DE-SC0020305.
| Funders | Funder number |
|---|---|
| Materials Science, Engineering and Information | |
| NSF Materials Research Science and Engineering Center at UC Santa Barbara | DMR-1720256 |
| National Science Foundation | |
| Basic Energy Sciences | |
| University of California, Santa Barbara | DMR-1906325 |
| Division of Materials Sciences and Engineering | DE-SC0020305 |
| Deutsche Forschungsgemeinschaft | |
| Bayerisch-Kalifornischen Hochschulzentrum | 7 [2021-2 |
Keywords
- DFT calculations
- bismuth
- kagomé metals
- magnetic properties
- titanium