Revealing the Nature of Antiferroquadrupolar Ordering in Cerium Hexaboride: CeB6

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2019-02-19
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Barman, C. K.
Singh, Prashant
Johnson, Duane
Alam, Aftab
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Johnson, Duane
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Ames National Laboratory

Ames National Laboratory is a government-owned, contractor-operated national laboratory of the U.S. Department of Energy (DOE), operated by and located on the campus of Iowa State University in Ames, Iowa.

For more than 70 years, the Ames National Laboratory has successfully partnered with Iowa State University, and is unique among the 17 DOE laboratories in that it is physically located on the campus of a major research university. Many of the scientists and administrators at the Laboratory also hold faculty positions at the University and the Laboratory has access to both undergraduate and graduate student talent.

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The Department of Chemical Engineering was founded in 1913 under the Department of Physics and Illuminating Engineering. From 1915 to 1931 it was jointly administered by the Divisions of Industrial Science and Engineering, and from 1931 onward it has been under the Division/College of Engineering. In 1928 it merged with Mining Engineering, and from 1973–1979 it merged with Nuclear Engineering. It became Chemical and Biological Engineering in 2005.

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  • Department of Chemical Engineering (1913–1928)
  • Department of Chemical and Mining Engineering (1928–1957)
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    • Department of Chemical and Biological Engineering (2005–present)

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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. 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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