Transformation of the crystal structure of Ni0.5TiSe2 under in situ heating
E. G.
Shkvarina, 
a
M. S.
Postnikov,
a
A. I.
Merentsov,
a
A. S.
Shkvarin,
*a
D. I.
Radzivonchik,
a
L.
Gigli,
b
J. R.
Plaisier
b
and
A. N.
Titov
a
a
M. S.
Postnikov,
a
A. I.
Merentsov,
a
A. S.
Shkvarin,
*a
D. I.
Radzivonchik,
a
L.
Gigli,
b
J. R.
Plaisier
b
and
A. N.
Titov
a
Abstract
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.
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