4.0 Article

The kagome metals RbTi3Bi5 and CsTi3Bi5

Publisher

WALTER DE GRUYTER GMBH
DOI: 10.1515/znb-2022-0125

Keywords

bismuth; DFT calculations; kagome metals; magnetic properties; titanium

Funding

  1. National Science Foundation (NSF) through Enabling Quantum Leap: Convergent Accelerated Discovery Foundries for Quantum Materials Science, Engineering and Information (Q-AMASEi): Quantum Foundry at UC Santa Barbara [DMR-1906325]
  2. NSF Materials Research Science and Engineering Center at UC Santa Barbara [DMR-1720256]
  3. US Department of Energy Office of Basic Energy Sciences, Division of Materials Science and Engineering [DE-SC0020305]
  4. U.S. Department of Energy (DOE) [DE-SC0020305] Funding Source: U.S. Department of Energy (DOE)

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The kagome metals RbTi3Bi5 and CsTi3Bi5 were synthesized and studied, revealing their kagome network structure and AlB2-like layer structure. Magnetic and magnetotransport measurements showed specific magnetic and conductivity behavior in these compounds, and DFT calculations confirmed the metallic kagome band structure.
The kagome 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) angstrom; RbTi3Bi5: a = 5.773(1), c = 9.065(1) angstrom). The titanium atoms form a kagome 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 kagome 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 kagome 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.

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