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Persistent URL http://purl.org/net/epubs/work/50659
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Record Id 50659
Title Neutron diffraction, electronic band structure, and electrical resistivity of Mo3-xRuxSb7
Abstract Neutron diffraction experiments and Korringa-Kohn-Rostoker with coherent potential approximation electronic band structure calculations as well as electrical resistivity measurements have been performed on polycrystalline Mo3-xRuxSb7 samples for 0 <= x <= 1. Neutron diffraction studies have been undertaken at room temperature and extended down to 4 K to get a better understanding of the crystalline structure modifications as the Ru content increases. Both structural and chemical characterizations have unambiguously revealed a solubility limit of the Ru atoms close to 0.8. Electronic band structure calculations have provided theoretical evidence of a progressive transition from a metalliclike state (x = 0) toward a semiconducting-like character as x = 1 is approached, although the solubility limit of Ru precludes a crossover to a semiconducting behavior. The theoretical prediction has been experimentally confirmed by low-temperature electrical resistivity measurements from 2 up to 350K.
Keywords Materials , Chemistry
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Language English (EN)
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Journal Article Inorg Chem 48, no. 12 (2009): 5216-5223. doi:10.1021/ic900171u 2009