Crystal and magnetic structures of magnetic topological insulators MnBi2Te4 and MnBi4Te7

Ding, Lei; Hu, Chaowei; Ye, Feng; Feng, Erxi; Ni, Ni; Cao, Huibo

doi:10.1103/physrevb.101.020412

Title: Crystal and magnetic structures of magnetic topological insulators MnBi₂Te₄ and MnBi₄Te₇

Journal Article · Mon Jan 27 00:00:00 EST 2020 · Physical Review B

DOI:https://doi.org/10.1103/physrevb.101.020412· OSTI ID:1761702

^[1]; Hu, Chaowei ^[2];

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^[1]; Ni, Ni ^[2];

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Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of California, Los Angeles, CA (United States). California NanoSystems Inst.

Using single-crystal neutron diffraction, we present a systematic investigation of the crystal structure and magnetism of the van der Waals topological insulators ${MnBi}_{2} {Te}_{4}$ and ${MnBi}_{4} {Te}_{7}$ , where rich topological quantum states have been recently predicted and observed. Structural refinements reveal that considerable Bi atoms occupied on the Mn sites in both materials, distinct from the previously reported antisite disorder. We show unambiguously that ${MnBi}_{2} {Te}_{4}$ orders antiferromagnetically below 24 K, featured by a magnetic symmetry $R_{I} - 3 c$ , while ${MnBi}_{4} {Te}_{7}$ is antiferromagnetic below 13 K with a magnetic space group $P_{c} - 3 c 1$ . They both present antiferromagnetically coupled ferromagnetic layers with spins along the $c$ axis. We put forward a stacking rule for the crystal structure of an infinitely adaptive series ${MnBi}_{2 n} {Te}_{3 n + 1}$ ( $n \geq 1$ ) with a building unit of $[{Bi}_{2} {Te}_{3}]$ . Overall, by comparing the magnetic properties between ${MnBi}_{2} {Te}_{4}$ and ${MnBi}_{4} {Te}_{7}$ , together with recent density-functional theory calculations, we concluded that a two-dimensional magnetism limit might be realized in the derivatives. Our work may promote theoretical studies of topological magnetic states in the series of ${MnBi}_{2 n} {Te}_{3 n + 1}$ .

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725; KC0402010; SC0011978

OSTI ID:: 1761702

Journal Information:: Physical Review B, Vol. 101, Issue 2; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Crystal and magnetic structures of magnetic topological insulators MnBi₂Te₄ and MnBi₄Te₇