Soluble direct-band-gap semiconductors LiAsS2 and NaAsS 2: Large electronic structure effects from weak As⋯S interactions and strong nonlinear optical response

Tarun K. Bera; Jung Hwan Song; Arthur J. Freeman; Joon I. Jang; John B. Ketterson; Mercouri G. Kanatzidis

doi:10.1002/anie.200801392

Soluble direct-band-gap semiconductors LiAsS₂ and NaAsS ₂: Large electronic structure effects from weak As⋯S interactions and strong nonlinear optical response

Tarun K. Bera, Jung Hwan Song, Arthur J. Freeman, Joon I. Jang, John B. Ketterson, Mercouri G. Kanatzidis

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

158 Scopus citations

Abstract

Bridging the gap: Li_1-xNa_xAsS₂ (x=0-1) species are found to be a new class of polar direct-gap semiconductors, which display a strong second harmonic generator (SHG) response. The anomalous band-gap trend and their direct-band-gap nature was studied by calculations. The 1.6 eV direct energy gap of LiAsS₂ coupled with its high solubility makes it promising as an efficient light harvesting component in solar cells. (Graph Presented)

Original language	English (US)
Pages (from-to)	7828-7832
Number of pages	5
Journal	Angewandte Chemie - International Edition
Volume	47
Issue number	41
DOIs	https://doi.org/10.1002/anie.200801392
State	Published - Sep 29 2008

Keywords

Chalcogenides
Electronic structure
Nonlinear optics
Semiconductors
Thioarsenates

ASJC Scopus subject areas

Catalysis
Chemistry(all)

Access to Document

10.1002/anie.200801392

Cite this

@article{a49545123c68469bbdea17d4cf81e156,

title = "Soluble direct-band-gap semiconductors LiAsS2 and NaAsS 2: Large electronic structure effects from weak As⋯S interactions and strong nonlinear optical response",

abstract = "Bridging the gap: Li1-xNaxAsS2 (x=0-1) species are found to be a new class of polar direct-gap semiconductors, which display a strong second harmonic generator (SHG) response. The anomalous band-gap trend and their direct-band-gap nature was studied by calculations. The 1.6 eV direct energy gap of LiAsS2 coupled with its high solubility makes it promising as an efficient light harvesting component in solar cells. (Graph Presented)",

keywords = "Chalcogenides, Electronic structure, Nonlinear optics, Semiconductors, Thioarsenates",

author = "Bera, {Tarun K.} and Song, {Jung Hwan} and Freeman, {Arthur J.} and Jang, {Joon I.} and Ketterson, {John B.} and Kanatzidis, {Mercouri G.}",

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Soluble direct-band-gap semiconductors LiAsS₂ and NaAsS ₂ : Large electronic structure effects from weak As⋯S interactions and strong nonlinear optical response. / Bera, Tarun K.; Song, Jung Hwan; Freeman, Arthur J. et al.

In: Angewandte Chemie - International Edition, Vol. 47, No. 41, 29.09.2008, p. 7828-7832.

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

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AU - Ketterson, John B.

AU - Kanatzidis, Mercouri G.

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