Selective Substitution of Cr in CaFe4As3 and Its Effect on the Spin Density Wave

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• 作者：Iliya Todorov ; Duck Young Chung ; Helmut Claus ; Kenneth E. Gray ; Qing’ ; an Li ; John Schleuter ; Thomas Bakas ; Alexios P. Douvalis ; Matthias Gutmann ; Mercouri G. Kanatzidis
• 刊名：Chemistry of Materials
• 出版年：2010
• 出版时间：September 14, 2010
• 年：2010
• 卷：22
• 期：17
• 页码：4996-5002
• 全文大小：817K
• 年卷期：v.22,no.17(September 14, 2010)
• ISSN：1520-5002

文摘

Single crystals of CaCr_0.84Fe_3.16As₃, a Cr substituted analog of CaFe₄As₃, were grown from Sn flux and characterized with single crystal neutron diffraction. CaCr_0.84Fe_3.16As₃ crystallizes in the orthorhombic space group Pnma with a three-dimensional framework, where Fe, Cr, and As form a covalent channel-like network with Cap>2+p> cations residing in the channels. CaCr_0.84Fe_3.16As₃ has a unit cell of a = 12.057(4) Å, b = 3.7374(13) Å, and c = 11.694(3) Å, as determined by room temperature single crystal neutron diffraction (R₁ = 0.0747, wR₂ = 0.1825). Structural data was also collected at 10 K. The single crystal neutron data showed that Cr selectively occupies a particular metal site, Fe(4). The antiferromagnetic transition associated with spin density wave (SDW) in the parent compound is preserved and shifts from 96 to 103 K with the selective Cr doping. Mssbauer, magnetic, and electrical resistivity measurements are reported.