Abstract
New BaMnPnF (Pn = As, Sb, Bi) are synthesized by stoichiometric reaction of elements with BaF 2. They crystallize in the P4/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 0.73eV, 0.48eV and 0.003eV (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.
| Original language | English |
|---|---|
| Article number | 2154 |
| Journal | Scientific Reports |
| Volume | 3 |
| DOIs | |
| State | Published - 2013 |
Funding
This work was supported by the Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. Work at the High Flux Isotope Reactor, Oak Ridge National Laboratory, was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. We thank R. Custelcean for his help with the single crystal X-ray diffraction measurements.