2014
DOI: 10.1038/nmat3964
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Abstract: The cooperative Jahn-Teller effect (CJTE) refers to the correlation of distortions arising from individual Jahn-Teller centres in complex compounds. The effect usually induces strong coupling between the static or dynamic charge, orbital and magnetic ordering, which has been related to many important phenomena such as colossal magnetoresistance and superconductivity. Here we report a Na5/8MnO2 superstructure with a pronounced static CJTE that is coupled to an unusual Na vacancy ordering. We visualize this coup… Show more

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Cited by 237 publications
(234 citation statements)
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“…APPLIED 4, 064002 (2015) 064002-3 these systems nontopotactic structural changes away from O3 may occur. All single-layer Na-vacancy orderings that appear as a ground state in one or more of the seven systems form the set of 18 structures shown in Figure 6(j) shows a unique ground state found experimentally and confirmed computationally in earlier work [27] in which Na ions are relaxed out of their original octahedral sites into distorted octahedra. This structure does not appear as a ground state in TM oxide systems other than the Ni and Mn systems and is related to the strong Jahn-Teller coupling in these systems.…”
Section: A Single Transition-metal Ground Statessupporting
confidence: 74%
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“…APPLIED 4, 064002 (2015) 064002-3 these systems nontopotactic structural changes away from O3 may occur. All single-layer Na-vacancy orderings that appear as a ground state in one or more of the seven systems form the set of 18 structures shown in Figure 6(j) shows a unique ground state found experimentally and confirmed computationally in earlier work [27] in which Na ions are relaxed out of their original octahedral sites into distorted octahedra. This structure does not appear as a ground state in TM oxide systems other than the Ni and Mn systems and is related to the strong Jahn-Teller coupling in these systems.…”
Section: A Single Transition-metal Ground Statessupporting
confidence: 74%
“…Except for an established structure at 5=8 Na concentration, which has been characterized experimentally and confirmed computationally in previous work [ Fig. 6(j)] [27], Na ions are assumed to remain in octahedral sites and not move into highly distorted or tetrahedral sites in the Na layer. All initial structures are obtained by replacing the alkali and Co 3þ ion in the R3m LiCoO 2 structure, except in the cases of Jahn-Teller active Ni 3þ and Mn 3þ ions where the monoclinic distortion is imposed.…”
Section: Methodsmentioning
confidence: 69%
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“…80 A recent experimental and DFT study of O3-Na 5/8 MnO 2 revealed that its superstructure, shown in Figure 9a, Figure 9a, is believed to arise from a similar mechanism. For those stripes with not enough Na + ions to create only Na-O-Mn 3+ -O-Na interactions, rather than create V Na -O-Mn 3+ -O-Na configurations, the Na + ions relax into highly distorted octahedral sites where they share the symmetric attraction of the two neighboring Jahn-Teller distorted -O-Mn 3+ -O-Na configurations (see Figure 9d).…”
mentioning
confidence: 96%