文章基本信息

标题：Crystal, magnetic, and electronic structures, and properties of new BaMnPnF (Pn = As, Sb, Bi)
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作者：Bayrammurad Saparov ; David J. Singh ; Vasile O. Garlea 等
期刊名称：Scientific Reports
电子版ISSN：2045-2322
出版年度：2013
卷号：3
DOI：10.1038/srep02154
出版社：Springer Nature
摘要：New BaMn Pn F ( Pn = As, Sb, Bi) are synthesized by stoichiometric reaction of elements with BaF₂. They crystallize in the P 4/ nmm space group, with the ZrCuSiAs-type structure, as indicated by X-ray crystallography. Electrical resistivity results indicate that Pn = As, Sb, and Bi are semiconductors with band gaps of 0.73 eV, 0.48 eV and 0.003 eV (extrinsic value), respectively. Powder neutron diffraction reveals a G -type antiferromagnetic order below T_N = 338(1) K for Pn = As, and below T_N = 272(1) K for Pn = Sb. Magnetic susceptibility increases with temperature above 100 K for all the materials. Density functional calculations find semiconducting antiferromagnetic compounds with strong in-plane and weaker out-of-plane exchange coupling that may result in non-Curie Weiss behavior above T_N . The ordered magnetic moments are 3.65(5) μ _B/Mn for Pn = As, and 3.66(3) μ _B/Mn for Pn = Sb at 4 K, as refined from neutron diffraction experiments.