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

doi:10.1021/acs.inorgchem.7b02352

Semiconducting Ba₃Sn₃Sb₄ and Metallic Ba_7-xSn₁₁Sb_15-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

Northwestern University

Research output: Contribution to journal › Article

2 Citations (Scopus)

Abstract

We report the discovery of two ternary Zintl phases Ba₃Sn₃Sb₄ and Ba_7-xSn₁₁Sb_15-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 Ba_6.6Sn₁₁Sb_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 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. Ba_6.6Sn₁₁Sb_14.4 is determined to be a metal with electrons being the dominant carriers.

Original language	English
Pages (from-to)	14251-14259
Number of pages	9
Journal	Inorganic Chemistry
Volume	56
Issue number	22
DOIs	https://doi.org/10.1021/acs.inorgchem.7b02352
Publication status	Published - Nov 20 2017

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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Chen, H., Narayan, A., Stoumpos, C. C., Zhao, J., Han, F., Chung, D. Y., Wagner, L. K., Kwok, W. K., & Kanatzidis, M. G. (2017). Semiconducting Ba₃Sn₃Sb₄ and Metallic Ba_7-xSn₁₁Sb_15-y (x = 0.4, y = 0.6) Zintl Phases. Inorganic Chemistry, 56(22), 14251-14259. https://doi.org/10.1021/acs.inorgchem.7b02352

Semiconducting Ba₃Sn₃Sb₄ and Metallic Ba_7-xSn₁₁Sb_15-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 journal › Article

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

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 - Chen, Haijie

AU - Narayan, Awadhesh

AU - Stoumpos, Constantinos C.

AU - Zhao, Jing

AU - Han, Fei

AU - Chung, Duck Young

AU - Wagner, Lucas K.

AU - Kwok, Wai Kwong

AU - Kanatzidis, Mercouri G

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N2 - 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.

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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