Site preference and magnetism of Fe<sub>3鈭?span style='font-style: italic'>xsub>Cr<sub>xsub>Al<sub>0.5sub>Si<sub>0.5sub>
- 作者：A. Go<sup>asup><sup> ; sup><sup>annago@alpha.uwb.edu.plsup> ; K. Re膰ko<sup>asup> ; L. Dobrzy艅ski<sup>bsup><sup> ; sup><sup>csup> ; J.J. Milczarek<sup>bsup> ; M. Biernacka<sup>asup>
- 关键词：Transition metal alloy ; Magnetism ; DO3-structure ; Electronic structure ; X-ray diffraction ; Neutron diffraction
- 刊名：Journal of Magnetism and Magnetic Materials
- 出版年：2012
- 期刊代码：31_03048853
- 类别：ph
- 出版时间：August, 2012
- 卷：324
- 期：16
- 页码：2442-2451
- 文件大小：1504 K
摘要
In order to gain better insight into the origin of the observed differences between Fe<sub>3鈭?em>xsub>Cr<sub>xsub>Al and Fe<sub>3鈭?em>xsub>Cr<sub>xsub>Si, alloys of Fe<sub>3鈭?em>xsub>Cr<sub>xsub>Al<sub>0.5sub>Si<sub>0.5sub> (x=0, 0.125, 0.250, 0.375 and 0.5) were prepared and studied by means of X-ray and neutron diffraction as well as by magnetization measurements. Electronic structure calculations of these alloys have been performed by means of TB-LMTO-ASA method. It was expected, and experimentally verified, that the presence of silicon and aluminum atoms in 1:1 proportion will result in the independence of the lattice parameter on the iron/chromium concentration. All samples have been proved to be a single phase of the DO<sub>3sub>-type of structure. Theoretical and experimental results indicate that chromium atoms locate preferentially in B sublattice. Cr magnetic moments are oriented antiparallel to Fe magnetic moments. Neutron measurements show a linear dependence of the magnetic moments of Fe(A,C), Fe(B) and Cr(B) as a function of Cr concentration. However the calculated total magnetic moment decreases faster with chromium content than indicated by the experiment.