Electronic structure and magnetism of Co1−xPdx and Ni1−xPdx ordered alloys
Electronic structure and magnetism of Co1−xPdx and Ni1−xPdx ordered alloys
复制标题
DOI：
10.1016/j.jmmm.2003.10.012
复制
发表时间：
2004-06
影响因子：
2.7
通讯作者：
Y. Shi;M. Wang;D. Qian;G. Dong;Xiaofeng Jin;Ding-sheng Wang
中科院分区：
文献类型：
--
作者：
Y. Shi;M. Wang;D. Qian;G. Dong;Xiaofeng Jin;Ding-sheng Wang
The electronic and magnetic structures of both face-centered-cubic (FCC) and body-centered-cubic (BCC) FM1−xPdx(FM representing Co, Ni) ordered alloys at x=0.25, 0.5, 0.75 have been calculated using the first principles linearized augmented plane-wave method with the local spin density approximation. The results show that FCC-Co1−xPdx, BCC-Co1−xPdxand FCC-Ni1−xPdxare ferromagnetic at all the compositions considered, but BCC-Ni1−xPdxis ferromagnetic only at x=0.25 and 0.5 and is paramagnetic at x=0.75. The calculation also indicates that, except BCC-Ni1−xPdxat x=0.75, the Pd atoms are strongly spin polarized while the magnetic moments of Ni and Co atoms are significantly enhanced in the Ni1−xPdxand Co1−xPdxalloys compared to their pure metal phases.
