Structural, thermal and electrical studies of thallium-scandium-hafnium(zirconium) molybdates

Гроссман, В. Г.; Мolokeev, Maxim S.; Bazarova, Jibzema G.; Базаров, Б. Г.; Сорокин, Н. И.

doi:10.1016/j.jssc.2021.122832

Cited by 2 publications

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“…The resistance decreases with the increasing temperature and the conductivity increases accordingly. This behavior is a characteristic of solid electrolytes, and it is in a good agreement with the results reported previously for selected oxides [ 21 , 72 , 73 , 74 ].…”

Section: Resultssupporting

confidence: 92%

“…The electrical properties of K 5 FeHf(MoO 4 ) 6 were investigated by impedance spectroscopy. This is a reliable technique to study the electrical properties of the oxide compounds [ 21 , 67 , 68 , 69 , 70 , 71 , 72 , 73 , 74 ]. The Nyquist plots (Z″ vs. Z′), recorded for the K 5 FeHf(MoO 4 ) 6 sample at different temperatures, are shown in Figure 12 .…”

Section: Resultsmentioning

confidence: 99%

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Structural, Spectroscopic, Electric and Magnetic Properties of New Trigonal K5FeHf(MoO4)6 Orthomolybdate

et al. 2023

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A new multicationic structurally disordered K5FeHf(MoO4)6 crystal belonging to the molybdate family is synthesized by the two-stage solid state reaction method. The characterization of the electronic and vibrational properties of the K5FeHf(MoO4)6 was performed using density functional theory calculations, group theory, Raman and infrared spectroscopy. The vibrational spectra are dominated by vibrations of the MoO4 tetrahedra, while the lattice modes are observed in a low-wavenumber part of the spectra. The experimental gap in the phonon spectra between 450 and 700 cm−1 is in a good agreement with the simulated phonon density of the states. K5FeHf(MoO4)6 is a paramagnetic down to 4.2 K. The negative Curie–Weiss temperature of −6.7 K indicates dominant antiferromagnetic interactions in the compound. The direct and indirect optical bandgaps of K5FeHf(MoO4)6 are 2.97 and 3.21 eV, respectively. The K5FeHf(MoO4)6 bandgap narrowing, with respect to the variety of known molybdates and the ab initio calculations, is explained by the presence of Mott-Hubbard optical excitation in the system of Fe3+ ions.

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Section: Resultssupporting

confidence: 92%