Pressure-Induced Structural Phase Transition and Fluorescence Enhancement of Double Perovskite Material Cs2NaHoCl6

Crystals, Journal Year: 2024, Volume and Issue: 14(11), P. 1006 - 1006

Published: Nov. 20, 2024

Cs2NaHoCl6, a double perovskite material, has demonstrated extensive application potential in the fields of anti-counterfeiting and optoelectronics. The synthesis Cs2NaHoCl6 crystals was achieved using hydrothermal method, followed by determination their crystal structures through single X-ray diffraction techniques. material exhibits bright red fluorescence when exposed to ultraviolet light, confirming its excellent optical properties. An situ high-pressure experiment conducted on up 10 GPa at room temperature. results indicate that possibly undergoes structural phase transition within pressure range 6.9–7.9 GPa, which is accompanied significant enhancement fluorescence. Geometric optimization based density functional theory (DFT) revealed decrease bond lengths volumes Ho-Cl Na-Cl across predicted range. Furthermore, it observed reach an equivalent state this interval. alteration length may modify local field strength surrounding Ho3+, consequently affecting electronic energy levels. This could be primary factor contributing transition.

Language: Английский

Investigating the structural, mechanical, elastic anisotropy and thermodynamic properties of Ta-C ultrahigh temperature ceramics via first-principles calculations

Ceramics International, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 1, 2024

Language: Английский