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Title: Semiconducting Ba 3Sn 3Sb 4 and Metallic Ba 7–xSn 11Sb 15–y ( x = 0.4, y = 0.6) Zintl Phases

In this paper, we report the discovery of two ternary Zintl phases Ba 3Sn 3Sb 4 and Ba 7-xSn 11Sb 15-y, (x = 0.4, y = 0.6). Ba 3Sn 3Sb 4 adopts the monoclinic space group P2 1/c with a = 14.669(3) Å, b = 6.9649(14) Å, c = 13.629(3) Å, and β = 104.98(3)°. It features a unique corrugated two-dimensional (2D) structure consisting of [Sn 3Sb 4] 6- layers extending along the ab plane with Ba 2+ atoms sandwiched between them. The non-stoichiometric Ba 6.6Sn 11Sb 14.4 has a complex one-dimensional (1D) structure adopting the orthorhombic space group Pnma, with unit cell parameters a = 37.964(8) Å, b = 4.4090(9) Å and c = 24.682(5) Å. It consists of large double Sn-Sb ribbons separated by Ba 2+ atoms. Ba3Sn3Sb4 is an n-type semiconductor which has a narrow energy gap of ~0.18 eV and a room temperature carrier concentration of ~4.2 × 10 18 cm -3. Lastly, Ba 6.6Sn 11Sb 14.4 is determined to be a metal with electrons being the dominant carriers.
Authors:
ORCiD logo [1] ;  [2] ; ORCiD logo [3] ; ORCiD logo [3] ;  [4] ;  [4] ;  [2] ;  [4] ; ORCiD logo [1]
  1. Northwestern Univ., Evanston, IL (United States). Department of Chemistry; Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
  2. University of Illinois at Urbana−Champaign, Champaign, IL (United States). Department of Physics
  3. Northwestern Univ., Evanston, IL (United States). Department of Chemistry
  4. Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
Publication Date:
Grant/Contract Number:
AC02-06CH11357; AC0298CH1088
Type:
Accepted Manuscript
Journal Name:
Inorganic Chemistry
Additional Journal Information:
Journal Volume: 56; Journal Issue: 22; Journal ID: ISSN 0020-1669
Publisher:
American Chemical Society (ACS)
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Emergent Superconductivity (CES)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Metal; Semiconductor; Zintl phase
OSTI Identifier:
1415609

Chen, Haijie, Narayan, Awadhesh, Stoumpos, Constantinos C., Zhao, Jing, Han, Fei, Chung, Duck Young, Wagner, Lucas K., Kwok, Wai-Kwong, and Kanatzidis, Mercouri G.. Semiconducting Ba3Sn3Sb4 and Metallic Ba7–xSn11Sb15–y (x = 0.4, y = 0.6) Zintl Phases. United States: N. p., Web. doi:10.1021/acs.inorgchem.7b02352.
Chen, Haijie, Narayan, Awadhesh, Stoumpos, Constantinos C., Zhao, Jing, Han, Fei, Chung, Duck Young, Wagner, Lucas K., Kwok, Wai-Kwong, & Kanatzidis, Mercouri G.. Semiconducting Ba3Sn3Sb4 and Metallic Ba7–xSn11Sb15–y (x = 0.4, y = 0.6) Zintl Phases. United States. doi:10.1021/acs.inorgchem.7b02352.
Chen, Haijie, Narayan, Awadhesh, Stoumpos, Constantinos C., Zhao, Jing, Han, Fei, Chung, Duck Young, Wagner, Lucas K., Kwok, Wai-Kwong, and Kanatzidis, Mercouri G.. 2017. "Semiconducting Ba3Sn3Sb4 and Metallic Ba7–xSn11Sb15–y (x = 0.4, y = 0.6) Zintl Phases". United States. doi:10.1021/acs.inorgchem.7b02352. https://www.osti.gov/servlets/purl/1415609.
@article{osti_1415609,
title = {Semiconducting Ba3Sn3Sb4 and Metallic Ba7–xSn11Sb15–y (x = 0.4, y = 0.6) Zintl Phases},
author = {Chen, Haijie and Narayan, Awadhesh and Stoumpos, Constantinos C. and Zhao, Jing and Han, Fei and Chung, Duck Young and Wagner, Lucas K. and Kwok, Wai-Kwong and Kanatzidis, Mercouri G.},
abstractNote = {In this paper, we report the discovery of two ternary Zintl phases Ba3Sn3Sb4 and Ba7-xSn11Sb15-y, (x = 0.4, y = 0.6). Ba3Sn3Sb4 adopts the monoclinic space group P21/c with a = 14.669(3) Å, b = 6.9649(14) Å, c = 13.629(3) Å, and β = 104.98(3)°. It features a unique corrugated two-dimensional (2D) structure consisting of [Sn3Sb4]6- layers extending along the ab plane with Ba2+ atoms sandwiched between them. The non-stoichiometric Ba6.6Sn11Sb14.4 has a complex one-dimensional (1D) structure adopting the orthorhombic space group Pnma, with unit cell parameters a = 37.964(8) Å, b = 4.4090(9) Å and c = 24.682(5) Å. It consists of large double Sn-Sb ribbons separated by Ba2+ atoms. Ba3Sn3Sb4 is an n-type semiconductor which has a narrow energy gap of ~0.18 eV and a room temperature carrier concentration of ~4.2 × 1018 cm-3. Lastly, Ba6.6Sn11Sb14.4 is determined to be a metal with electrons being the dominant carriers.},
doi = {10.1021/acs.inorgchem.7b02352},
journal = {Inorganic Chemistry},
number = 22,
volume = 56,
place = {United States},
year = {2017},
month = {11}
}