TY - JOUR
T1 - Selective substitution of Cr in CaFe4As3 and its effect on the spin density wave
AU - Todorov, Iliya
AU - Chung, Duck Young
AU - Claus, Helmut
AU - Gray, Kenneth E.
AU - Li, Qing'an
AU - Schleuter, John
AU - Bakas, Thomas
AU - Douvalis, Alexios P.
AU - Gutmann, Matthias
AU - Kanatzidis, Mercouri G.
PY - 2010/9/14
Y1 - 2010/9/14
N2 - Single crystals of CaCr0.84Fe3.16As3, a Cr substituted analog of CaFe4As3, were grown from Sn flux and characterized with single crystal neutron diffraction. CaCr 0.84Fe3.16As3 crystallizes in the orthorhombic space group Pnma with a three-dimensional framework, where Fe, Cr, and As form a covalent channel-like network with Ca2+ cations residing in the channels. CaCr0.84Fe3.16As3 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. Mössbauer, magnetic, and electrical resistivity measurements are reported.
AB - Single crystals of CaCr0.84Fe3.16As3, a Cr substituted analog of CaFe4As3, were grown from Sn flux and characterized with single crystal neutron diffraction. CaCr 0.84Fe3.16As3 crystallizes in the orthorhombic space group Pnma with a three-dimensional framework, where Fe, Cr, and As form a covalent channel-like network with Ca2+ cations residing in the channels. CaCr0.84Fe3.16As3 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. Mössbauer, magnetic, and electrical resistivity measurements are reported.
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U2 - 10.1021/cm1012679
DO - 10.1021/cm1012679
M3 - Article
AN - SCOPUS:77956404554
VL - 22
SP - 4996
EP - 5002
JO - Chemistry of Materials
JF - Chemistry of Materials
SN - 0897-4756
IS - 17
ER -