Preparation, structures, and band gaps of RbInS2 and RbInSe 2

Fu Qiang Huang; Bin Deng; Donald E. Ellis; James A. Ibers

doi:10.1016/j.jssc.2005.04.007

Preparation, structures, and band gaps of RbInS₂ and RbInSe ₂

Fu Qiang Huang, Bin Deng, Donald E. Ellis, James A. Ibers^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

38 Scopus citations

Abstract

The two compounds RbInS₂ and RbInSe₂ have been synthesized at 773 K by means of the reactive flux method. These isostructural compounds crystallize in space group C2/c of the monoclinic system with 16 formula units in a cell at 153 K of dimensions a=11.0653(7)Å, b=11.0643(7)Å, c=15.5796(9)Å, and β=100.244(1)° for RbInS₂, and a=11.477(3)Å, b=11.471(3)Å, c=16.186(6)Å, and β=100.16(2)° for RbInSe₂. The In atoms are four-coordinated. The structure consists of two-dimensional ∞2[InQ2-] (Q=S, Se) layers perpendicular to [001] separated from the Rb⁺ cations. Adamantane-like In₄Q₁₀ units are connected by common corners to form the layers. Band structure calculations indicate that these compounds are direct band-gap semiconductors with the smallest band gap at the Γ point. The calculated band gaps are 2.8 eV for RbInS₂ and 2.0 eV for RbInSe₂, values that are consistent with the colors of the compounds.

Original language	English (US)
Pages (from-to)	2128-2132
Number of pages	5
Journal	Journal of Solid State Chemistry
Volume	178
Issue number	6
DOIs	https://doi.org/10.1016/j.jssc.2005.04.007
State	Published - Jun 2005

Funding

This research was supported in part by the US National Science Foundation under Grant DMR00-96676. FQH also acknowledges support from the NSF of China Grant B010504-20471068. Use was made of the MRL Central Facilities supported by the US National Science Foundation at the Materials Research Center of Northwestern University under Grant DMR00-76097.

Keywords

Band gaps
Chalcogenide
Crystal structure
Indium
Synthesis

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

Access to Document

10.1016/j.jssc.2005.04.007

Cite this

@article{f3810cfc63e74d9dbfc6f21fb3787aad,

title = "Preparation, structures, and band gaps of RbInS2 and RbInSe 2",

abstract = "The two compounds RbInS2 and RbInSe2 have been synthesized at 773 K by means of the reactive flux method. These isostructural compounds crystallize in space group C2/c of the monoclinic system with 16 formula units in a cell at 153 K of dimensions a=11.0653(7){\AA}, b=11.0643(7){\AA}, c=15.5796(9){\AA}, and β=100.244(1)° for RbInS2, and a=11.477(3){\AA}, b=11.471(3){\AA}, c=16.186(6){\AA}, and β=100.16(2)° for RbInSe2. The In atoms are four-coordinated. The structure consists of two-dimensional ∞2[InQ2-] (Q=S, Se) layers perpendicular to [001] separated from the Rb+ cations. Adamantane-like In4Q10 units are connected by common corners to form the layers. Band structure calculations indicate that these compounds are direct band-gap semiconductors with the smallest band gap at the Γ point. The calculated band gaps are 2.8 eV for RbInS2 and 2.0 eV for RbInSe2, values that are consistent with the colors of the compounds.",

keywords = "Band gaps, Chalcogenide, Crystal structure, Indium, Synthesis",

author = "Huang, {Fu Qiang} and Bin Deng and Ellis, {Donald E.} and Ibers, {James A.}",

note = "Funding Information: This research was supported in part by the US National Science Foundation under Grant DMR00-96676. FQH also acknowledges support from the NSF of China Grant B010504-20471068. Use was made of the MRL Central Facilities supported by the US National Science Foundation at the Materials Research Center of Northwestern University under Grant DMR00-76097.",

year = "2005",

month = jun,

doi = "10.1016/j.jssc.2005.04.007",

language = "English (US)",

volume = "178",

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journal = "Journal of Solid State Chemistry",

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T1 - Preparation, structures, and band gaps of RbInS2 and RbInSe 2

AU - Huang, Fu Qiang

AU - Deng, Bin

AU - Ellis, Donald E.

AU - Ibers, James A.

N1 - Funding Information: This research was supported in part by the US National Science Foundation under Grant DMR00-96676. FQH also acknowledges support from the NSF of China Grant B010504-20471068. Use was made of the MRL Central Facilities supported by the US National Science Foundation at the Materials Research Center of Northwestern University under Grant DMR00-76097.

PY - 2005/6

Y1 - 2005/6

N2 - The two compounds RbInS2 and RbInSe2 have been synthesized at 773 K by means of the reactive flux method. These isostructural compounds crystallize in space group C2/c of the monoclinic system with 16 formula units in a cell at 153 K of dimensions a=11.0653(7)Å, b=11.0643(7)Å, c=15.5796(9)Å, and β=100.244(1)° for RbInS2, and a=11.477(3)Å, b=11.471(3)Å, c=16.186(6)Å, and β=100.16(2)° for RbInSe2. The In atoms are four-coordinated. The structure consists of two-dimensional ∞2[InQ2-] (Q=S, Se) layers perpendicular to [001] separated from the Rb+ cations. Adamantane-like In4Q10 units are connected by common corners to form the layers. Band structure calculations indicate that these compounds are direct band-gap semiconductors with the smallest band gap at the Γ point. The calculated band gaps are 2.8 eV for RbInS2 and 2.0 eV for RbInSe2, values that are consistent with the colors of the compounds.

AB - The two compounds RbInS2 and RbInSe2 have been synthesized at 773 K by means of the reactive flux method. These isostructural compounds crystallize in space group C2/c of the monoclinic system with 16 formula units in a cell at 153 K of dimensions a=11.0653(7)Å, b=11.0643(7)Å, c=15.5796(9)Å, and β=100.244(1)° for RbInS2, and a=11.477(3)Å, b=11.471(3)Å, c=16.186(6)Å, and β=100.16(2)° for RbInSe2. The In atoms are four-coordinated. The structure consists of two-dimensional ∞2[InQ2-] (Q=S, Se) layers perpendicular to [001] separated from the Rb+ cations. Adamantane-like In4Q10 units are connected by common corners to form the layers. Band structure calculations indicate that these compounds are direct band-gap semiconductors with the smallest band gap at the Γ point. The calculated band gaps are 2.8 eV for RbInS2 and 2.0 eV for RbInSe2, values that are consistent with the colors of the compounds.

KW - Band gaps

KW - Chalcogenide

KW - Crystal structure

KW - Indium

KW - Synthesis

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