Journal Article

PUBDB-2020-05306

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Study of the thermochromic phase transition in CuMo$_{1−x}$W$_x$O$_4$ solid solutions at the W L$_3$-edge by resonant X-ray emission spectroscopy

Pudza, I. (Corresponding author)Extern* ; Kalinko, A.Extern* ; Cintins, A.Extern* ; Kuzmin, A. (Corresponding author)Extern*

2021
Elsevier Science Amsterdam [u.a.]

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Please use a persistent id in citations: doi:10.1016/j.actamat.2020.116581  doi:10.3204/PUBDB-2020-05306

Abstract: Polycrystalline CuMo$_{1-x}$W$_x$O$_4$ solid solutions were studied by resonant X-ray emission spectroscopy (RXES) at the W L$_3$-edge to follow a variation of the tungsten local atomic and electronic structures across thermochromic phase transition as a function of sample composition and temperature. The experimental results were interpreted using ab initio calculations. The crystal-field splitting parameter Delta for the 5d(W)-states was obtained from the analysis of the RXES plane and was used to evaluate the coordination of tungsten atoms. Temperature-dependent RXES measurements were successfully employed to determine the hysteretic behaviour of the structural phase transition between the alpha and gamma phases in CuMo$_{1-x}$W$_x$O$_4$ solid solutions on cooling and heating, even at low (x<0.10) tungsten content. It was found that tungsten ions have octahedral coordination for in the whole studied temperature range (90-420 K), whereas their coordination changes from tetrahedral to octahedral upon cooling for smaller (x<=0.15) tungsten content. Nevertheless, some amount of tungsten ions was found to co-exists in the octahedral environment at room temperature for x<0.15. The obtained results correlate well with the color change in these solid solutions.

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Contributing Institute(s):

1. DOOR-User (DOOR ; HAS-User)

Research Program(s):

1. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
2. FS-Proposal: I-20180615 EC (I-20180615-EC) (I-20180615-EC)
3. CALIPSOplus - Convenient Access to Light Sources Open to Innovation, Science and to the World (730872) (730872)

Experiment(s):

1. PETRA Beamline P64 (PETRA III)

Appears in the scientific report 2021

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Database coverage:
; ; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF >= 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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