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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