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

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ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

Cite this

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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