Revealing the Nature of Antiferroquadrupolar Ordering in Cerium Hexaboride: CeB6

Barman, C. K.; Singh, Prashant; Johnson, Duane D.; Alam, Aftab

doi:10.1103/PhysRevLett.122.076401

Title: Revealing the Nature of Antiferroquadrupolar Ordering in Cerium Hexaboride: ${CeB}_{6}$

Journal Article · 19 February 2019 · Physical Review Letters

DOI: https://doi.org/10.1103/PhysRevLett.122.076401 · OSTI ID:1495400

Barman, C. K. ^[1]; Singh, Prashant ^[2]; Johnson, Duane D. ^[3]; Alam, Aftab ^[1]

Indian Institute of Technology, Mumbai (India)
Ames Lab., Ames, IA (United States)
Ames Lab. and Iowa State Univ., Ames, IA (United States)

The cerium hexaboride (CeB₆) f-electron compound displays a rich array of low-temperature magnetic phenomena, including a “magnetically hidden” order, identified as multipolar in origin via advanced x-ray scattering. From first-principles electronic-structure results, we find that the antiferroquadrupolar (AFQ) ordering in CeB₆ arises from crystal-field splitting and yields a band structure in agreement with experiments. With interactions of p electrons between Ce and B₆ being small, the electronic state of CeB₆ is suitably described as Ce(4f¹)³⁺(e^–)(B₆)^2–. The AFQ state of orbital spins is caused by an exchange interaction induced through spin-orbit interaction, which also splits the J = 5/2 state into a Γ₈ ground state and a Γ₇ excited state. Within the smallest antiferromagnetic (AFM) (111) configuration, an orbital-ordered AFQ state appears during charge self-consistency, and it supports the appearance of a “hidden” order. Furthermore hydrostatic pressure (either applied or chemically induced) stabilizes the AFM (AFQ) states over a ferromagnetic one, as observed at low temperatures.

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Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1495400

Report Number(s):: IS-J--9868

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 7 Vol. 122; ISSN 0031-9007; ISSN PRLTAO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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