Crystal growth, thermoelectric properties, and electronic structure of AgBi 3S 5 and AgSb xBi 3-xS 5 (x = 0.3)

Jun Ho Kim, Duck Young Chung, Daniel Bilc, Sim Loo, Jarrod Short, Subhendra D. Mahanti, Tim Hogan, Mercouri G Kanatzidis

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Abstract

The compound AgBi 3S 5 (I) (synthetic pavonite) and its solid solution AgSb xBi 3-xS 5 (x = 0.3) (II) were prepared by direct combination of elemental Ag, Bi, Sb, and S. They crystallize in the monoclinic space group C2/m with a = 13.345(3) Å,b = 4.0416(8) Å, c = 16.439(3) Å, and β= 94.158(3)° for I and a = 13.302(4) Å, b = 4.0381(11) Å, c = 16.388(5) Å, and β= 94.347(5)° for II. The Bridgman technique was used to grow bulk crystals of these materials. The crystal structure refinements, physicochemical properties, and thermoelectric properties of these materials are presented. The thermoelectric power for AgBi 3S 5 and AgSb 0.3Bi 2.7S 5 showed -64 and -98 μV/K, respectively, with room-temperature electrical conductivity of 489 and 260 S/cm. The thermal conductivity for both compounds at room temperature was measured to be very low at ∼1 W/m·K, respectively. Electronic band structure calculations for AgBi 3S 5 suggest the importance of silver d-states to the charge transport and also indicate the presence of an indirect energy gap.

Original languageEnglish
Pages (from-to)3606-3614
Number of pages9
JournalChemistry of Materials
Volume17
Issue number14
DOIs
Publication statusPublished - Jul 12 2005

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Crystallization
Crystal growth
Electronic structure
Thermoelectric power
Silver
Band structure
Charge transfer
Solid solutions
Thermal conductivity
Energy gap
Crystal structure
Temperature
Crystals
Electric Conductivity

ASJC Scopus subject areas

  • Materials Chemistry
  • Materials Science(all)

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Crystal growth, thermoelectric properties, and electronic structure of AgBi 3S 5 and AgSb xBi 3-xS 5 (x = 0.3). / Kim, Jun Ho; Chung, Duck Young; Bilc, Daniel; Loo, Sim; Short, Jarrod; Mahanti, Subhendra D.; Hogan, Tim; Kanatzidis, Mercouri G.

In: Chemistry of Materials, Vol. 17, No. 14, 12.07.2005, p. 3606-3614.

Research output: Contribution to journalArticle

Kim, Jun Ho ; Chung, Duck Young ; Bilc, Daniel ; Loo, Sim ; Short, Jarrod ; Mahanti, Subhendra D. ; Hogan, Tim ; Kanatzidis, Mercouri G. / Crystal growth, thermoelectric properties, and electronic structure of AgBi 3S 5 and AgSb xBi 3-xS 5 (x = 0.3). In: Chemistry of Materials. 2005 ; Vol. 17, No. 14. pp. 3606-3614.
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abstract = "The compound AgBi 3S 5 (I) (synthetic pavonite) and its solid solution AgSb xBi 3-xS 5 (x = 0.3) (II) were prepared by direct combination of elemental Ag, Bi, Sb, and S. They crystallize in the monoclinic space group C2/m with a = 13.345(3) {\AA},b = 4.0416(8) {\AA}, c = 16.439(3) {\AA}, and β= 94.158(3)° for I and a = 13.302(4) {\AA}, b = 4.0381(11) {\AA}, c = 16.388(5) {\AA}, and β= 94.347(5)° for II. The Bridgman technique was used to grow bulk crystals of these materials. The crystal structure refinements, physicochemical properties, and thermoelectric properties of these materials are presented. The thermoelectric power for AgBi 3S 5 and AgSb 0.3Bi 2.7S 5 showed -64 and -98 μV/K, respectively, with room-temperature electrical conductivity of 489 and 260 S/cm. The thermal conductivity for both compounds at room temperature was measured to be very low at ∼1 W/m·K, respectively. Electronic band structure calculations for AgBi 3S 5 suggest the importance of silver d-states to the charge transport and also indicate the presence of an indirect energy gap.",
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