Low temperature X-ray absorption spectroscopy study of CuMoO4 and CuMo0.90W0.10O4 using reverse Monte-Carlo method. (October 2020)

• Record Type: Journal Article
• Authors: Jonane, Inga; Cintins, Arturs; Kalinko, Aleksandr; Chernikov, Roman; Kuzmin, Alexei
• Is Part Of: Radiation physics and chemistry. Volume 175(2020:Oct.)
• Publication Date: 2020-10
• Subjects: CuMoO4 -- X-ray absorption spectroscopy -- EXAFS -- XANES -- Reverse Monte Carlo; Radiation chemistry -- Periodicals; Radiometry -- Periodicals; Radiation -- Periodicals; Chimie sous rayonnement -- Périodiques; 539.2
• DOI: 10.1016/j.radphyschem.2019.108411
• Languages: English
• ISSNs: 0969-806X

Abstract

Abstract: Reversible thermochromic phase transition between α- and γ-phases was studied in CuMoO4 and CuMo0.90 W0.10 O4 using X-ray absorption spectroscopy in the temperature range of 10–300 K. Reverse Monte Carlo modelling with evolutionary algorithm approach at several absorption edges simultaneously was applied to extract structural information encoded in the experimental EXAFS spectra. The obtained results show that an addition of 10 mol% of tungsten to CuMoO4 induces local distortions in the structure and stabilizes the γ-phase, leading to an increase of the phase transition temperature by ~ 50–100 K. Highlights: Thermochromic phase transition was studied in CuMoO4 and CuMo0.90W0.10O4 by EXAFS. The addition of tungsten shifts the phase transition hysteresis loop by 50-100 K. The γ-phase is stabilized by tungsten induced local distortions.