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Title: Revealing the Nature of Antiferroquadrupolar Ordering in Cerium Hexaboride: CeB 6

Abstract

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.

Authors:
 [1];  [2];  [3];  [1]
  1. Indian Institute of Technology, Mumbai (India)
  2. Ames Lab., Ames, IA (United States)
  3. Ames Lab. and Iowa State Univ., Ames, IA (United States)
Publication Date:
Research Org.:
Ames Lab., Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1495400
Alternate Identifier(s):
OSTI ID: 1495077
Report Number(s):
IS-J-9868
Journal ID: ISSN 0031-9007; PRLTAO
Grant/Contract Number:  
AC02-07CH11358
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 122; Journal Issue: 7; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE

Citation Formats

Barman, C. K., Singh, Prashant, Johnson, Duane D., and Alam, Aftab. Revealing the Nature of Antiferroquadrupolar Ordering in Cerium Hexaboride: CeB6. United States: N. p., 2019. Web. doi:10.1103/PhysRevLett.122.076401.
Barman, C. K., Singh, Prashant, Johnson, Duane D., & Alam, Aftab. Revealing the Nature of Antiferroquadrupolar Ordering in Cerium Hexaboride: CeB6. United States. doi:10.1103/PhysRevLett.122.076401.
Barman, C. K., Singh, Prashant, Johnson, Duane D., and Alam, Aftab. Tue . "Revealing the Nature of Antiferroquadrupolar Ordering in Cerium Hexaboride: CeB6". United States. doi:10.1103/PhysRevLett.122.076401. https://www.osti.gov/servlets/purl/1495400.
@article{osti_1495400,
title = {Revealing the Nature of Antiferroquadrupolar Ordering in Cerium Hexaboride: CeB6},
author = {Barman, C. K. and Singh, Prashant and Johnson, Duane D. and Alam, Aftab},
abstractNote = {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.},
doi = {10.1103/PhysRevLett.122.076401},
journal = {Physical Review Letters},
number = 7,
volume = 122,
place = {United States},
year = {2019},
month = {2}
}

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    Works referencing / citing this record:

    Evolution of the propagation vector of antiferroquadrupolar phases in Ce 3 Pd 20 Si 6 under magnetic field
    journal, June 2019