Transformation of the crystal structure of Ni0.5TiSe2 under in situ heating

Transformation of the crystal structure of Ni0.5TiSe2 under in situ heating

The crystal structure of the Ni0.5TiSe2 compound has been studied in situ in the temperature range of 25–1000 °C using synchrotron radiation X-ray diffraction. The previously known order–disorder transition in the Ni sublattice at ∼100 °C was found to be a second-order phase transition and belongs t...

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2024-06, Vol.26 (22), p.15999-16007
Hauptverfasser: Shkvarina, E G, Postnikov, M S, Merentsov, A I, Shkvarin, A S, Radzivonchik, D I, Gigli, L, Gaboardi, M, Plaisier, J R, Titov, A N
Format: Artikel
Sprache:eng
Schlagworte:
Crystal structure
Ising model
Nickel
Phase diagrams
Phase transitions
Selenides
Selenium
Synchrotron radiation
Transition metals
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Zusammenfassung:The crystal structure of the Ni0.5TiSe2 compound has been studied in situ in the temperature range of 25–1000 °C using synchrotron radiation X-ray diffraction. The previously known order–disorder transition in the Ni sublattice at ∼100 °C was found to be a second-order phase transition and belongs to the 3D Ising universality class. Reversible extraction of nickel selenides was observed in the temperature range of 275–975 °C. It was explained in terms of Ni extraction from Ni0.5TiSe2 due to the thermal widening of the Ni 3d/Ti 3d/Se 4p impurity band. The Ni–TiSe2 phase diagram follows the typical pattern of MxTiSe2 (M – transition metal) compounds.
ISSN:1463-9076
1463-9084
DOI:10.1039/d4cp00453a