La1‿i>xBi1+xS3 (x ≿0.08): An n-Type Semiconductor

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• 作者：Fei Han ; Huimei Liu ; Christos D. Malliakas ; Mihai Sturza ; Duck Young Chung ; Xiangang Wan ; Mercouri G. Kanatzidis
• 刊名：Inorganic Chemistry
• 出版年：2016
• 出版时间：April 4, 2016
• 年：2016
• 卷：55
• 期：7
• 页码：3547-3552
• 全文大小：411K
• ISSN：1520-510X

文摘

The new bismuth chalcogenide La_0.92Bi_1.08S₃ crystallizes in the monoclinic space group C2/m with a = 28.0447(19) Å, b = 4.0722(2) Å, c = 14.7350(9) Å, and β = 118.493(5)°. The structure of La_0.92Bi_1.08S₃ is built of NaCl-type Bi₂S₅ blocks and BiS₄ and LaS₅ infinitely long chains, forming a compact three-dimensional framework with parallel tunnels. Optical spectroscopy and resistivity measurements reveal a semiconducting behavior with a band gap of ∼1 eV and activation energy for transport of 0.36(1) eV. Thermopower measurements suggest the majority carriers of La_0.92Bi_1.08S₃ are electrons. Heat capacity measurements indicate no phase transitions from 2 to 300 K. Band structure calculations at the density functional theory level confirm the semiconducting nature and the indirect gap of La_0.92Bi_1.08S₃.