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Ba4In8Sb16: Thermoelectric properties of a new layered zintl phase with infinite zigzag Sb chains and pentagonal tubes
- Title
- Ba4In8Sb16: Thermoelectric properties of a new layered zintl phase with infinite zigzag Sb chains and pentagonal tubes
- Authors
- Kim, SJ; Hu, SQ; Uher, C; Kanatzidis, MG
- Ewha Authors
- 김성진
- SCOPUS Author ID
- 김성진
- Issue Date
- 1999
- Journal Title
- CHEMISTRY OF MATERIALS
- ISSN
- 0897-4756
- Citation
- CHEMISTRY OF MATERIALS vol. 11, no. 11, pp. 3154 - 3159
- Publisher
- AMER CHEMICAL SOC
- Indexed
- SCI; SCIE; SCOPUS
- Document Type
- Article
- Abstract
- A new Zintl phase Ba4In8Sb16 was obtained from a direct element combination reaction of the elements in a sealed graphite tube at 700 degrees C, and its structure was determined by single-crystal X-ray diffraction methods. It crystallizes in the orthorhombic space group Pnma (No. 62) with a = 10.166(3) Angstrom, b = 4.5239(14) Angstrom, c = 19.495(6) Angstrom, and Z = 1. Ba4In8Sb18 has a two-dimensional structure with thick corrugated (In8Sb16)(8-) layers separated by Ba2+ ions. In the layer, InSb4 tetrahedra are connected by sharing three corners and by bridging the fourth corner in such a manner that infinite pentagonal tubes are formed. The compound is a narrow band gap (similar to 0.10 eV) semiconductor and satisfies the classical Zintl rule. Band structure calculations confirm that; the material is a semiconductor and indicate that it has optimized In-Sb bonding interactions. Polycrystalline ingots of Ba4In8Sb16 show room-temperature electrical conductivity of 135 S/cm and a Seebeck coefficient of 70 mu V/K. The thermal conductivity of Ba4In8Sb16 is about 1.7 W/m.K in the temperature range 150-300 K.
- DOI
- 10.1021/cm990237y
- Appears in Collections:
- 자연과학대학 > 화학·나노과학전공 > Journal papers
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