ISIS Neutron and Muon Source Data Journal

Phonon density of states and atomic thermal displacement on the figure of merit of MgAgSb-based thermoelectric materials

Abstract: Quite recently, the high thermoelectric performance has been reported in the MgAgSb-based half Heusler alloys. The ZT values close to 1 at room temperature with a maximum of ZT = 1.4 at 475K make them a possible candidate as room-temperature thermoelectric generator. But their crystallographic structure and dynamics are rarely known, except a structural study on impurity sample above the room temperature up to now. By virtue of our single phase samples, we hope that those MARI measurements will map out the PDOS softening and broadening with increasing temperature to justify the effect of anharmonicity and GEM measurements will to get isotropic mean-square displacement and even anisotropic thermal factors, as a function of temperature, to judge whether there exists the static and/or dynamic displacement, thus also test extensively the speculation of atomic relaxation in nanostructure.

Principal Investigator: Professor Fangwei Wang
Experimenter: Professor Junrong Zhang
Experimenter: Dr Lunhua He
Local Contact: Dr Tatiana Guidi
Experimenter: Mr Xiyang Li

DOI: 10.5286/ISIS.E.RB1610190

ISIS Experiment Number: RB1610190

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Fangwei Wang et al; (2016): Phonon density of states and atomic thermal displacement on the figure of merit of MgAgSb-based thermoelectric materials, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1610190

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