Tunable multifunctional topological insulators in ternary Heusler compounds


Recently the quantum spin Hall effect was theoretically predicted and experimentally realized in quantum wells based on the binary semiconductor HgTe (refs 13). The quantum spin Hall state and topological insulators are new states of quantum matter interesting for both fundamental condensed-matter physics and material science1,2,3,4,5,6,7,8,9,10,11. Many Heusler compounds with C1b structure are ternary semiconductors that are structurally and electronically related to the binary semiconductors. The diversity of Heusler materials opens wide possibilities for tuning the bandgap and setting the desired band inversion by choosing compounds with appropriate hybridization strength (by the lattice parameter) and magnitude of spin–orbit coupling (by the atomic charge). Based on first-principle calculations we demonstrate that around 50 Heusler compounds show band inversion similar to that of HgTe. The topological state in these zero-gap semiconductors can be created by applying strain or by designing an appropriate quantum-well structure, similar to the case of HgTe. Many of these ternary zero-gap semiconductors (LnAuPb, LnPdBi, LnPtSb and LnPtBi) contain the rare-earth element Ln, which can realize additional properties ranging from superconductivity (for example LaPtBi; ref. 12) to magnetism (for example GdPtBi; ref. 13) and heavy fermion behaviour (for example YbPtBi; ref. 14). These properties can open new research directions in realizing the quantized anomalous Hall effect and topological superconductors.

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Figure 1: Comparison of the zinc-blende and the C1b crystal structure.
Figure 2: Bandstructures of CdTe and HgTe compared with ScPtSb and ScPtBi Heuslers.
Figure 3: EΓ6EΓ8 difference calculated for various Heuslers at their experimental lattice constants.
Figure 4: EΓ6EΓ8 difference for YPdBi.
Figure 5: Bandstructure of YPdBi under tetragonal strain (c/a=0.97).


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We acknowledge C. X. Liu for discussion. This work is supported by ARO, grant number W911NF-09-1-0508. Financial support by the Deutsche Forschungsgemeinschaft (DFG, research unit FOR 559, project P 07) is gratefully acknowledged.

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All authors contributed equally to the work presented in this Letter.

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Correspondence to Claudia Felser or Shou Cheng Zhang.

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Chadov, S., Qi, X., Kübler, J. et al. Tunable multifunctional topological insulators in ternary Heusler compounds. Nature Mater 9, 541–545 (2010). https://doi.org/10.1038/nmat2770

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