Semiconducting Ba3Sn3Sb4 and Metallic Ba7-xSn11Sb15-y (x = 0.4, y = 0.6) Zintl Phases

Haijie Chen, Awadhesh Narayan, Constantinos C. Stoumpos, Jing Zhao, Fei Han, Duck Young Chung, Lucas K. Wagner, Wai Kwong Kwok, Mercouri G Kanatzidis

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Abstract

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 nonstoichiometric 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. Ba6.6Sn11Sb14.4 is determined to be a metal with electrons being the dominant carriers.

Original languageEnglish
Pages (from-to)14251-14259
Number of pages9
JournalInorganic Chemistry
Volume56
Issue number22
DOIs
Publication statusPublished - Nov 20 2017

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Atoms
n-type semiconductors
ribbons
Carrier concentration
atoms
Energy gap
Metals
Semiconductor materials
Electrons
room temperature
cells
metals
electrons
Temperature

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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Semiconducting Ba3Sn3Sb4 and Metallic Ba7-xSn11Sb15-y (x = 0.4, y = 0.6) Zintl Phases. / Chen, Haijie; Narayan, Awadhesh; Stoumpos, Constantinos C.; Zhao, Jing; Han, Fei; Chung, Duck Young; Wagner, Lucas K.; Kwok, Wai Kwong; Kanatzidis, Mercouri G.

In: Inorganic Chemistry, Vol. 56, No. 22, 20.11.2017, p. 14251-14259.

Research output: Contribution to journalArticle

Chen, H, Narayan, A, Stoumpos, CC, Zhao, J, Han, F, Chung, DY, Wagner, LK, Kwok, WK & Kanatzidis, MG 2017, 'Semiconducting Ba3Sn3Sb4 and Metallic Ba7-xSn11Sb15-y (x = 0.4, y = 0.6) Zintl Phases', Inorganic Chemistry, vol. 56, no. 22, pp. 14251-14259. https://doi.org/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. In: Inorganic Chemistry. 2017 ; Vol. 56, No. 22. pp. 14251-14259.
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abstract = "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) {\AA}, b = 6.9649(14) {\AA}, c = 13.629(3) {\AA}, 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 nonstoichiometric Ba6.6Sn11Sb14.4 has a complex one-dimensional (1D) structure adopting the orthorhombic space group Pnma, with unit cell parameters a = 37.964(8) {\AA}, b = 4.4090(9) {\AA}, and c = 24.682(5) {\AA}. 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. Ba6.6Sn11Sb14.4 is determined to be a metal with electrons being the dominant carriers.",
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AU - Stoumpos, Constantinos C.

AU - Zhao, Jing

AU - Han, Fei

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AB - 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 nonstoichiometric 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. Ba6.6Sn11Sb14.4 is determined to be a metal with electrons being the dominant carriers.

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