High Pressure Induced Insulator-to-Semimetal Transition through Intersite Charge Transfer in NaMn7O12

The pressure-dependent behaviour of NaMn7O12 (up to 40 GPa) is studied and discussed by means of single-crystal X-ray diffraction and resistance measurements carried out on powdered samples. A transition from thermally activated transport mechanism to semimetal takes place above 18 GPa, accompanied...

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Bibliographic Details
Published in:Crystals (Basel) 2018-02, Vol.8 (2), p.81
Main Authors: Delmonte, Davide, Mezzadri, Francesco, Orlandi, Fabio, Calestani, Gianluca, Amiel, Yehezkel, Gilioli, Edmondo
Format: Article
Language:English
Subjects:
charge ordering
Charge transfer
Compressibility
Crystallography
Diffraction
high pressure
Manganese ions
Mathematical analysis
MIT
Pressure effects
Single crystals
strongly correlated systems
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Summary:The pressure-dependent behaviour of NaMn7O12 (up to 40 GPa) is studied and discussed by means of single-crystal X-ray diffraction and resistance measurements carried out on powdered samples. A transition from thermally activated transport mechanism to semimetal takes place above 18 GPa, accompanied by a change in the compressibility of the system. On the other hand, the crystallographic determinations rule out a symmetry change to be at the origin of the transition, despite all the structural parameters pointing to a symmetrizing effect of pressure. Bond valence sum calculations indicate a charge transfer from the octahedrally coordinated manganese ions to the square planar ones, likely favouring the delocalization of the carriers.
ISSN:2073-4352
2073-4352
DOI:10.3390/cryst8020081