Тип публикации: статья из журнала

Год издания: 2025

Идентификатор DOI: 10.1016/j.materresbull.2025.113485

Аннотация: New noncentrosymmetric molybdate Tm2Zr(MoO4)5 was synthesized. The crystal structure variation with temperature was determined by Rietveld analysis. At 303 K, the monoclinic structure was determined in space group P21. A reversible phase transition P21↔Cmc21 was found at 390 K. From 423 to 520 K, nearly a ZTE (α = 0.7 × 10−6 K−1) bПоказать полностьюehavior was revealed. In the range of 520–720 K, the negative thermal expansion (NTE) effect (α = -2.3 × 10−6 K−1) is evident for the cell volume. Tm2Zr(MoO4)5 is stable up to 1100 K. Electronic structures of monoclinic and orthorhombic Tm2Zr(MoO4)5 were evaluated by DFT methods. The bandgap values determined for monoclinic Tm2Zr(MoO4)5 are Eg direct = 3.83 eV and Eg indirect = 3.43 eV. The vibrational properties of monoclinic phase were characterized by Raman spectroscopy. The photoluminescence emission in monoclinic Tm2Zr(MoO4)5 at 303 K is dominated by a narrower band at 650 nm due to the 1G4 - 3F4 transition.

Журнал: Materials Research Bulletin

Выпуск журнала: Т. 190

Номера страниц: 113485

ISSN журнала: 00255408

Издатель: Elsevier Science Publishing Company, Inc.

• Tushinova Yunna (Baikal Institute of Nature Management, SB RAS)
• Dorzhieva Sesegma (Baikal Institute of Nature Management, SB RAS)
• Logvinova Aleksandra (Baikal Institute of Nature Management, SB RAS)
• Bazarov Bair (Baikal Institute of Nature Management, SB RAS)
• Aleksandrovsky Aleksandr (Siberian Federal University)
• Krylov Alexander (Kirensky Institute of Physics, Federal Research Center KSC SB RAS)
• Maximov Nikolai (Federal Research Center KSC SB RAS)
• Molokeev Maxim (Far Eastern State Transport University)
• Oreshonkov Aleksandr (Siberian Federal University)
• Atuchin Victor (Kemerovo State University)

• Ядро РИНЦ (eLIBRARY.RU)