Pressure-induced phase transition and electrical properties of thermoelectric Al-doped Mg2Si

Zhao, Jianbao; Liu, Zhenxian; Gordon, Robert A.; Takarabe, Kenichi; Reid, Joel; Tse, John S.

doi:10.1063/1.4933069

Title: Pressure-induced phase transition and electrical properties of thermoelectric Al-doped Mg₂Si

Journal Article · Wed Oct 14 00:00:00 EDT 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4933069· OSTI ID:1224008

Zhao, Jianbao ^[1]; Liu, Zhenxian ^[2]; Gordon, Robert A. ^[3]; Takarabe, Kenichi ^[4];

^[5]; Tse, John S. ^[1]

Univ. of Saskatchewan, Saskatoon, SK (Canada)
Carnegie Inst. of Washington, Washington, DC (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Okayama Univ. of Science, Okayama (Japan)
Canadian Light Source, Inc., Saskatoon, SK (Canada)

A recent study has shown the thermoelectric performance of Al-doped Mg₂Si materials can be significantly enhanced at moderate pressure. To understand the cause of this phenomenon, we have performed in situ angle dispersive X-ray diffraction and infrared reflectivity measurements up to 17 GPa at room temperature. Contrary to previous experiment, using helium as a pressure transmission medium, no structural transformation was observed in pure Mg₂Si. In contrast, a phase transition from cubic anti-fluorite (Fm-3m) to orthorhombic anti-cotunnite (Pnma) was observed in the Al-doped sample at 10 GPa. Infrared reflectivity measurements show the electrical conductivity increases with pressure and is further enhanced after the phase transition. The electron density of states at the Fermi level computed form density functional calculations predict a maximum thermoelectric power factor at 1.9 GPa, which is in good agreement with the experimental observation.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division

Grant/Contract Number:: AC02-06CH11357; FC03 03N00144; AC02-98CH10886

OSTI ID:: 1224008

Alternate ID(s):: OSTI ID: 1420463

Journal Information:: Journal of Applied Physics, Vol. 118, Issue 14; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: ENGLISH

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Cited by: 12 works

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Title: Pressure-induced phase transition and electrical properties of thermoelectric Al-doped Mg2Si

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Title: Pressure-induced phase transition and electrical properties of thermoelectric Al-doped Mg₂Si