Soluble direct-band-gap semiconductors LiAsS2 and NaAsS2:: Large electronic structure effects from weak As•••S interactions and strong nonlinear optical response

被引：178

作者：

Bera, Tarun K. ^{[1
]}

Song, Jung-Hwan ^{[2
]}

Freeman, Arthur J. ^{[2
]}

Jang, Joon I. ^{[2
]}

Ketterson, John B. ^{[2
]}

Kanatzidis, Mercouri G. ^{[1
]}

机构：

[1] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA

[2] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2008年 / 47卷 / 41期

关键词：

chalcogenides; electronic structure; nonlinear optics; semiconductors; thioarsenates;

D O I：

10.1002/anie.200801392

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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) © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：7828 / 7832

页数：5

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