Incommensurate Spiral Spin Order in CaMn2Bi2 Observed via High-Pressure Neutron Diffraction

Marshall, Madalynn; Wang, Haozhe; dos Santos, Antonio M.; Haberl, Bianca; Xie, Weiwei

doi:10.1021/acs.inorgchem.3c02379

Title: Incommensurate Spiral Spin Order in CaMn₂Bi₂ Observed via High-Pressure Neutron Diffraction

Journal Article · 27 November 2023 · Inorganic Chemistry

DOI: https://doi.org/10.1021/acs.inorgchem.3c02379 · OSTI ID:2301631

Marshall, Madalynn ^[1];

^[2]; dos Santos, Antonio M. ^[1];

^[1];

^[2]

Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Michigan State Univ., East Lansing, MI (United States)

Here, high-pressure neutron diffraction is employed to investigate the magnetic behavior of CaMn₂Bi₂ in extreme conditions. In contrast to antiferromagnetic ordering on Mn atoms reported at ambient pressure, our results reveal that at high pressure, incommensurate spiral spin order emerges due to the interplay between magnetism on the Mn atoms and strong spin–orbit coupling on the Bi atoms: sinusoidal spin order is observed at pressures as high as 7.4 GPa. First-principles calculations with a noncollinear spin orientation demonstrate band crossing behavior near the Fermi level as a result of strong hybridization between the d orbitals of Mn and the p orbitals of Bi atoms. Competing antiferromagnetic order is observed at different temperatures in the partially frustrated lattice. Theoretical models have been developed to investigate spin dynamics. This research provides a unique toolbox for conducting experimental and theoretical magnetic and spin dynamics studies of magnetic quantum materials via high-pressure neutron diffraction.

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

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC05-00OR22725; SC0023568

OSTI ID:: 2301631

Journal Information:: Inorganic Chemistry, Journal Name: Inorganic Chemistry Journal Issue: 4 Vol. 63; ISSN 0020-1669

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
High Pressure Neutron Diffraction
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Title: Incommensurate Spiral Spin Order in CaMn2Bi2 Observed via High-Pressure Neutron Diffraction

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Title: Incommensurate Spiral Spin Order in CaMn₂Bi₂ Observed via High-Pressure Neutron Diffraction