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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, SJHu, SQUher, CKanatzidis, MG
Ewha Authors
김성진
SCOPUS Author ID
김성진scopus
Issue Date
1999
Journal Title
CHEMISTRY OF MATERIALS
ISSN
0897-4756JCR Link
Citation
vol. 11, no. 11, pp. 3154 - 3159
Publisher
AMER CHEMICAL SOC
Indexed
SCI; SCIE; SCOPUS WOS
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
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자연과학대학 > 화학·나노과학전공 > Journal papers
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