NaBa2Cu3S5: A doped p-type degenerate semiconductor

Mihai Sturza, Fei Han, Daniel P. Shoemaker, Christos D. Malliakas, Duck Young Chung, Hosub Jin, Arthur J Freeman, Mercouri G Kanatzidis

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

Mixed S2-/S1- oxidation states have been discovered in the new quaternary compound NaBa2Cu3S5. Synthesized from the reaction of Cu in a molten alkali metal/polysulfide flux, the compound crystallizes in monoclinic space group C2/m with a = 16.5363(7) Å, b = 5.5374(5) Å, c = 10.3717(10) Å, β = 98.535(8). The Na+ Ba2 +2 [Cu+ 3S 3]3-S2 2- crystal structure contains layers of edge sharing CuS4 tetrahedra and sheets of S 2 2- dimers. These layers are separated by mixed Ba/Na cation layers. The conductivity of the single crystals of NaBa 2Cu3S5 is ∼450 S cm-1 at room temperature, and increasing conductivity with decreasing temperature is observed, indicating metallic behavior despite the optical band gap of 0.45 eV. A small positive thermopower (45-55 μV K-1 from 300 K to 500 K) and Hall effect measurements also confirm p-type conductivity with carrier concentration at 200 K of ∼1.6 × 1021 cm-3 and a hole mobility of ∼2 cm2 V-1 s-1. NaBa 2Cu3S5 exhibits temperature-independent Pauli paramagnetism.

Original languageEnglish
Pages (from-to)7210-7217
Number of pages8
JournalInorganic Chemistry
Volume52
Issue number12
DOIs
Publication statusPublished - Jun 17 2013

Fingerprint

Semiconductor materials
conductivity
Alkali Metals
Paramagnetism
polysulfides
Hole mobility
paramagnetism
Thermoelectric power
Optical band gaps
Hall effect
hole mobility
tetrahedrons
Dimers
Temperature
alkali metals
Carrier concentration
Cations
Molten materials
Crystal structure
dimers

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry

Cite this

Sturza, M., Han, F., Shoemaker, D. P., Malliakas, C. D., Chung, D. Y., Jin, H., ... Kanatzidis, M. G. (2013). NaBa2Cu3S5: A doped p-type degenerate semiconductor. Inorganic Chemistry, 52(12), 7210-7217. https://doi.org/10.1021/ic4008284

NaBa2Cu3S5 : A doped p-type degenerate semiconductor. / Sturza, Mihai; Han, Fei; Shoemaker, Daniel P.; Malliakas, Christos D.; Chung, Duck Young; Jin, Hosub; Freeman, Arthur J; Kanatzidis, Mercouri G.

In: Inorganic Chemistry, Vol. 52, No. 12, 17.06.2013, p. 7210-7217.

Research output: Contribution to journalArticle

Sturza, M, Han, F, Shoemaker, DP, Malliakas, CD, Chung, DY, Jin, H, Freeman, AJ & Kanatzidis, MG 2013, 'NaBa2Cu3S5: A doped p-type degenerate semiconductor', Inorganic Chemistry, vol. 52, no. 12, pp. 7210-7217. https://doi.org/10.1021/ic4008284
Sturza M, Han F, Shoemaker DP, Malliakas CD, Chung DY, Jin H et al. NaBa2Cu3S5: A doped p-type degenerate semiconductor. Inorganic Chemistry. 2013 Jun 17;52(12):7210-7217. https://doi.org/10.1021/ic4008284
Sturza, Mihai ; Han, Fei ; Shoemaker, Daniel P. ; Malliakas, Christos D. ; Chung, Duck Young ; Jin, Hosub ; Freeman, Arthur J ; Kanatzidis, Mercouri G. / NaBa2Cu3S5 : A doped p-type degenerate semiconductor. In: Inorganic Chemistry. 2013 ; Vol. 52, No. 12. pp. 7210-7217.
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