Ba4In8Sb16: Thermoelectric Properties of a New Layered Zintl Phase with Infinite Zigzag Sb Chains and Pentagonal Tubes
作者： Sung-Jin Kim , Siqing Hu , Ctirad Uher , Mercouri G. Kanatzidis
DOI: 10.1021/CM990237Y
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摘要: A new Zintl phase Ba4In8Sb16 was obtained from a direct element combination reaction of the elements in sealed graphite tube at 700 °C, and its structure determined by single-crystal X-ray diffraction methods. It crystallizes orthorhombic space group Pnma (No. 62) with = 10.166(3) A, b 4.5239(14) c 19.495(6) Z 1. has two-dimensional thick corrugated (In8Sb16)8- layers separated Ba2+ ions. In layer, InSb4 tetrahedra are connected sharing three corners bridging fourth corner such manner that infinite pentagonal tubes formed. The compound is narrow band gap (∼ 0.10 eV) semiconductor satisfies classical rule. Band calculations confirm material indicate it optimized In−Sb bonding interactions. Polycrystalline ingots show room-temperature electrical conductivity 135 S/cm Seebeck coefficient 70 μV/K. thermal Ba4In...
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