D M Trots et al 2008 J. Phys.: Condens. Matter 20 455204 doi:10.1088/0953-8984/20/45/455204
Phase transitions in jalpaite, Ag3CuS2
D M Trots1,2,6, A Senyshyn2,3, D A Mikhailova2,4, T Vad5 and H Fuess2
Show affiliationsAg3CuS2 is comprehensively studied by applying synchrotron and neutron powder diffraction as well as thermal analysis in the range from 2 K up to the melting point around 960 K. The unique sequence of the reversible phase transitions P-
was detected prior to the sample's melting. The transitions at 110, 387 and 483–549 K are found to be of first order, whereas the transition at 250 K is a second-order one. The major change in the structure of jalpaite resulting from the 
phase transition is a modification in the coordination geometry of the silver atoms. A large degree of structural disorder is stated for 
- and 
-structured Ag3CuS2, which correlates with the high ionic conductivity within both cubic polymorphs. The thermal expansion of jalpaite shows some unusual features, i.e. a negative expansion along the c-direction in the I41/amd phase, a nonlinear expansion within the polymorph and an expansion increase upon entering the mixed 
region. Low-temperature specific heat data confirm first- and second-order anomalies at 110 and 250 K, respectively, and illustrate a pronounced non-Debye-like behaviour of jalpaite.
- PACS
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64.70.D- Solid–liquid transitions
65.40.De Thermal expansion; thermomechanical effects
- Subjects
- Dates
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Issue 45 (12 November 2008)
Received 18 July 2008, in final form 15 September 2008
Published 13 October 2008
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Phase transitions in jalpaite, Ag3CuS2
D M Trots et al 2008 J. Phys.: Condens. Matter 20 455204
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