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Journal Article | PUBDB-2018-01590 |
; ; ; ;
2018
AIP Publ.
College Park, Md.
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Please use a persistent id in citations: doi:10.1063/1.5034155 doi:10.3204/PUBDB-2018-01590
Abstract: Thermochromic phase transition was studied in CuMoO4 using the Cu and Mo K-edge x-ray absorption spec-troscopy in the temperature range of 10–300 K. The hysteretic behavior has been evidenced from the tempera-ture dependence of the pre-edge shoulder intensity at the Mo K-edge, indicating that the transition from brownish-red γ-CuMoO$_4$ to green α-CuMoO$_4$ occurs in the temperature range of 230–280 K upon heating, whereas the α-to-γ transition occurs between 200 and 120 K upon cooling. Such behavior of the pre-edge shoulder at the Mo K-edge correlates with the change of molybdenum coordination between distorted tetrahedral in α-CuMoO4 and distorted octahedral in γ-CuMoO$_4$. This result has been supported by ab initio full-multiple-scattering x-ray absorption near edge structure (XANES) calculations.
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