New Layered Iron Sulfide NaFe1.6S2: Synthesis and Characterization

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• 作者：Xiaofang Lai ; Xiaolong Chen ; Shifeng Jin ; Gang Wang ; Tingting Zhou ; Tianping Ying ; Han Zhang ; Shijie Shen ; Wanyan Wang
• 刊名：Inorganic Chemistry
• 出版年：2013
• 出版时间：November 18, 2013
• 年：2013
• 卷：52
• 期：22
• 页码：12860-12862
• 全文大小：231K
• 年卷期：v.52,no.22(November 18, 2013)
• ISSN：1520-510X

文摘

Na was intercalated between [Fe₂S₂] layers for the first time, giving a novel compound NaFe_1.6S₂. This material adopts a CaAl₂Si₂-type structure with 20% iron vacancies and represents the first layered compound in a ternary Na鈥揗鈥揦 (M = Fe, Co, Ni; X = S, Se) system. First-principles calculations reveal that phonon dynamics is an important factor for it to prefer the CaAl₂Si₂-type rather than the ThCr₂Si₂-type structure. It features a magnetic transition at 205 K and is a narrow-band-gap semiconductor.