Negative thermal expansion (NTE) induced by simultaneous mechanisms, that is, charge transfer and polar-nonpolar transitions, was observed for the first time in BiNiFeO (0.25 ≤ ≤ 0.5). The low-temperature phase was found to have a polar structure (space group of 3) with a BiBiNiFeO charge distribution and short-range ordering of Bi and Bi. The volume reduction upon heating that was induced by charge transfer between Bi and Ni decreased with increasing because of the reduction in the amount of Ni. Simultaneous polar-nonpolar transition also contributed to NTE, and a composition-independent enhanced volume reduction of ∼2% was observed.
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| http://dx.doi.org/10.1021/jacs.9b10336 | DOI Listing |
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