Polymorphism and second harmonic generation in a novel diamond-like semiconductor: Li2MnSnS4
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- 作者：Kasey P. Devlina ; Andrew J. Glaida ; b ; Jacilynn A. Branta ; Jian-Han Zhanga ; Matthew N. Srneca ; b ; Daniel J. Clarkc ; Yong Soo Kimc ; d ; Joon I. Jangc ; Kimberly R. Daleya ; Meghann A. Moreaua ; Jeffry D. Maduraa ; b ; Jennifer A. Aitkena ; aitkenj@duq.edu" class="auth_mail" title="E-mail the corresponding author
- 关键词：Sulfide ; Polymorphism ; Stannite ; Kesterite ; SHG
- 刊名：Journal of Solid State Chemistry
- 出版年：2015
- 出版时间：November 2015
- 年：2015
- 卷：231
- 期：Complete
- 页码：256-266
- 全文大小：3259 K
文摘
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Li2MnSnS4 exists as two polymorphs crystallizing in the Pna21 and Pn space groups.
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The 伪- and 尾-Li2MnSnS4 mixture exhibits a moderate SHG response over a broad range.
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The 伪- and 尾-Li2MnSnS4 mixture exhibits an optical absorption edge of ∼2.6–3.0 eV.
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Synchrotron powder diffraction data are necessary to distinguish 伪- and 尾-Li2MnSnS4.
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Electronic structure calculations show similar total energies for 伪- and 尾-Li2MnSnS4.