Metallic ternary telluride with sphalerite superstructure

Adhikary, Amit, Mohapatra, Sudip, Lee, Seng Huat, Hor, Yew San, Adhikari, Puja, Ching, Wai-Yim and Choudhury, Amitava 2016, Metallic ternary telluride with sphalerite superstructure, Inorganic chemistry: including bioinorganic chemistry, vol. 55, no. 5, pp. 2114-2122, doi: 10.1021/acs.inorgchem.5b02516.

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Title Metallic ternary telluride with sphalerite superstructure
Author(s) Adhikary, Amit
Mohapatra, Sudip
Lee, Seng Huat
Hor, Yew San
Adhikari, Puja
Ching, Wai-Yim
Choudhury, Amitava
Journal name Inorganic chemistry: including bioinorganic chemistry
Volume number 55
Issue number 5
Start page 2114
End page 2122
Total pages 9
Publisher American Chemical Society
Place of publication Washington, D.C.
Publication date 2016
ISSN 1520-510X
Summary A new ternary compound with composition Cu5Sn2Te7 has been synthesized using the stoichiometric reaction of Cu, Sn, and Te. The compound crystallizes in C2 space group with unit cell parameters of a = 13.549(2) Å, b = 6.0521(11) Å, c = 9.568(2) Å, and β = 98.121(2)°. Cu5Sn2Te7 is a superstructure of sphalerite and exhibits tetrahedral coordination of Cu, Sn, and Te atoms, containing a unique adamantane-like arrangement. The compound is formally mixed valent with a high electrical conductivity of 9.8 × 10(5) S m(-1) at 300 K and exhibits metallic behavior having p-type charge carriers as indicated from the positive Seebeck coefficient. Hall effect measurements further confirm holes as charge carriers with a carrier density of 1.39 × 10(21) cm(-3) and Hall mobility of 4.5 cm(2) V(-1) s(-1) at 300 K. The electronic band structure calculations indicate the presence of a finite density of states around the Fermi level and agree well with the p-type metallic conductivity. Band structure analysis suggests that the effective mass of the hole state is small and could be responsible for high electronic conductivity and Hall mobility. The high thermal conductivity of 15.1 W m(-1) K(-1) at 300 K coupled with the low Seebeck coefficient results in a poor thermoelectric figure of merit (ZT) for this compound. Theoretical calculations indicate that if Cu5Sn2Te7 is turned into a valence precise compound by substituting one Cu by a Zn, a semiconducting material, Cu4ZnSn2Te7, with a direct band gap of ∼ 0.5 eV can be obtained.
Language eng
DOI 10.1021/acs.inorgchem.5b02516
Field of Research 030299 Inorganic Chemistry not elsewhere classified
0302 Inorganic Chemistry
0904 Chemical Engineering
0399 Other Chemical Sciences
Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences
HERDC Research category C1.1 Refereed article in a scholarly journal
ERA Research output type C Journal article
Copyright notice ©2016, American Chemical Society
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