Journal Article PUBDB-2026-00314

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Stability of the collinear up-up-down-down magnetic ordering in Ca$_3$CoMnO$_6$

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2025
Inst. Woodbury, NY

Physical review / B 112(21), 214448 () [10.1103/j9r9-9h3q]
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Abstract: Ca$_3$CoMnO$_6$ −xMnxO6 is a quasi-one-dimensional Ising chain magnet with a unique collinear up-up-down-down(↑↑↓↓) magnetic ordering, that gives rise to ferroelectricity below the Néel temperature of 13 K. This uniquelong-range magnetic ordering, however, was argued to get stabilized only with Co excess (i.e., x < 1.0) nonstoichiometric Ca$_3$CoMnO$_6$ , and not so for the chemically stoichiometric compound x = 1.0. Combining severalexperiments along with first-principles density-functional-based calculations, we elucidate that this unique↑↑↓↓ magnetic ordering can be stabilized even in the stoichiometric Ca$_3$CoMnO$_6$ (i.e., x = 1.0) compound,albeit through the presence of optimum cationic positional disorder, where some Mn and Co ions occupy thetrigonal-prismatic (Co sites for the ordered case) and octahedral (Mn-sites for the ordered one) sites respectivelythrough relative tuning of the various magnetic exchange interactions. Specifically, the relative energy stabilityof the ↑↑↓↓ magnetic order in Ca3$_3$CoMnO$_6$ exhibits a nonmonotonic dependency on the extent of cationicdisorder with a maximum of around 16% disorder. Thus our study helps to elucidate the mechanism thatleads to stabilization of this unique functional ↑↑↓↓ magnetic ordering in this promising class of multiferroiccompounds.

Classification:

Contributing Institute(s):
  1. DOOR-User (DOOR ; HAS-User)
  2. PETRA-S (FS-PETRA-S)
Research Program(s):
  1. 632 - Materials – Quantum, Complex and Functional Materials (POF4-632) (POF4-632)
  2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
  3. INDIA-DESY - INDIA-DESY Collaboration (2020_Join2-INDIA-DESY) (2020_Join2-INDIA-DESY)
Experiment(s):
  1. PETRA Beamline P64 (PETRA III)

Appears in the scientific report 2025
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 Record created 2026-01-16, last modified 2026-01-23


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