The crystal structure of the Ni0.5TiSe2 compound has been studied in situ in the temperature range of 25-1000 degrees C using synchrotron radiation X-ray diffraction. The previously known order-disorder transition in the Ni sublattice at similar to 100 degrees 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 degrees 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.
Shkvarina, E.g., Postnikov, M.s., Merentsov, A.i., Shkvarin, A.s., Radzivonchik, D.i., Gigli, L., et al. (2024). Transformation of the crystal structure of Ni0.5TiSe2 under in situ heating. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 26(22), 15999-16007 [10.1039/d4cp00453a].
Transformation of the crystal structure of Ni0.5TiSe2 under in situ heating
Gaboardi M.;
2024-01-01
Abstract
The crystal structure of the Ni0.5TiSe2 compound has been studied in situ in the temperature range of 25-1000 degrees C using synchrotron radiation X-ray diffraction. The previously known order-disorder transition in the Ni sublattice at similar to 100 degrees 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 degrees 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.| File | Dimensione | Formato | |
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