Positional disorder of Ba in the thermoelectric germanium clathrate Ba6Ge25

(2) Physics Department; Brookhaven National Laboratory; Central Michigan University; MI; Mt. Pleasant; NY); T. Vogt (2) ((1) Department of Physics; Upton; V. Petkov (1)

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Positional disorder of Ba in the thermoelectric germanium clathrate Ba6Ge25

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arxiv cond-mat/0304291 v1 pith:P7CTCWPH submitted 2003-04-11 cond-mat.mtrl-sci

V. Petkov (1) , T. Vogt (2) ((1) Department of Physics , Central Michigan University , Mt. Pleasant , MI , (2) Physics Department , Brookhaven National Laboratory , Upton

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keywords ba6ge25beenatomicatomsbecomeclathratediffractiondisorder

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The local structure of Ba6Ge25 has been studied by x-ray diffraction and the atomic pair distribution function technique at 40 K and room temperature. Unambiguous evidence has been found that two out of three types of Ba atoms in Ba6Ge25 move off their positions and become locked in split sites at low temperatures.

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