High-temperature order-disorder transitions in the skutterudites CoGe{sub 1.5}Q{sub 1.5} (Q=S, Te)
- Institute of Chemical Sciences and Centre for Advanced Energy Storage and Recovery (CAESAR), Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom)
- ISIS Facility, Rutherford Appleton Laboratory, Didcot, Oxfordshire OX11 0OX (United Kingdom)
The temperature dependence of anion ordering in the skutterudites CoGe{sub 1.5}Q{sub 1.5} (Q=S, Te) has been investigated by powder neutron diffraction. Both materials adopt a rhombohedral structure at room temperature (space group R3{sup Macron} ) in which the anions are ordered trans to each other within Ge{sub 2}Q{sub 2} rings. In CoGe{sub 1.5}S{sub 1.5}, anion ordering is preserved up to the melting point of 950 Degree-Sign C. However, rhombohedral CoGe{sub 1.5}Te{sub 1.5} undergoes a phase transition at 610 Degree-Sign C involving a change to cubic symmetry (space group Im3{sup Macron }). In the high-temperature modification, there is a statistical distribution of anions over the available sites within the Ge{sub 2}Te{sub 2} rings. The structural transition involves a reduction in the degree of distortion of the Ge{sub 2}Te{sub 2} rings which progressively transform from a rhombus to a rectangular shape. The effect of this transition on the thermoelectric properties has been investigated. - Graphical abstract: Powder neutron diffraction reveals that the skutterudite CoGe{sub 1.5}Te{sub 1.5} undergoes a phase transition at 610 Degree-Sign C, involving the disordering of the anions within the Ge{sub 2}Te{sub 2} rings. Highlights: Black-Right-Pointing-Pointer CoGe{sub 1.5}S{sub 1.5} retains an ordered skutterudite structure up to 950 Degree-Sign C. Black-Right-Pointing-Pointer CoGe{sub 1.5}Te{sub 1.5} undergoes an order-disorder phase transition at 610 Degree-Sign C. Black-Right-Pointing-Pointer Below 610 Degree-Sign C, anions are arranged trans to each other within Ge{sub 2}Te{sub 2} rings. Black-Right-Pointing-Pointer Above 610 Degree-Sign C, anions are statistically distributed within the Ge{sub 2}Te{sub 2} rings. Black-Right-Pointing-Pointer The effect of the phase transition on the thermal conductivity is discussed.
- OSTI ID:
- 22150061
- Journal Information:
- Journal of Solid State Chemistry, Vol. 198; Other Information: Copyright (c) 2012 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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