Neutron diffraction study on the lattice of thermoelectric material Ag9GaSe6
Thermoelectrics can directly convert heat into electricity and is considered to have potential application in energy harvesting. It is straightforward that the thermoelectric performance could be optimized by tailoring the electronic properties and suppressing the thermal conductivity, k. As an typical example, recent studies on Ag9GaSe6 demonstrated that large number of atoms in the primitive cell and weakly bonded Ag atoms endue this material a quite low thermal conductivity, and eventually a large zT. There is a phase transition at 281 K, from the low-temperature \beta-Ag9GaSe6 (P213) to the high-temperature ƒ\alpha-Ag9GaSe6 (F-43m). Except the lattice dynamics effect, theoretical calculation indicates that this system exhibits a diffusive behavior at high temperature, which makes the loose bonds of Ag atoms to neighboring atoms. Moreover, a smaller constant-volume heat capacity is reported as a solid-like material, suggesting an ionic-liquid like behavior in this compound. However, the study on the lattice in detail is still missing. We would measure the accurate details, such as the atomic position and mean-square-displacement as a function of temperature.
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MA Jie; FABELO ROSA Oscar Ramon; REN Qingyong; RODRIGUEZ VELAMAZAN Jose Alberto; Yixi Su and ZHU Fengfeng. (2018). Neutron diffraction study on the lattice of thermoelectric material Ag9GaSe6. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-14-263
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