搜索

x
中国物理学会期刊

Fe1-xPdx合金电子结构和磁性的理论研究

CSTR: 32037.14.aps.52.993

Theoretical study of the structure and magnetism of Fe1-xPdx alloys

CSTR: 32037.14.aps.52.993
PDF
导出引用
  • Fe1-xPdx合金的磁性强烈地依赖于其结构以及Pd的相对含量.从第一性原理出发,用线性缀加平面波(LAPW)方法,分别计算了x=000,025,050,075,100的情况下,面心立方(fcc)和体心立方(bcc)结构的Fe1-xPdx合金的电子结构和基态磁性.随x的增大,fcc结构的Fe1-xPdx合金的磁性从铁磁性或者反铁磁性变为亚铁磁性,再从亚铁磁性变为铁磁性和顺磁性;bcc结构的Fe1-xPdx合金从铁磁性减弱到顺磁性,预言了fcc结构的Fe1-xPdx合金可能存在亚铁磁相.并较好地解

     

    An ab initio linearized augmented plane wave (LAPW) method has been employed to calculate the electronic and magnetic structures for the fcc and bcc Fe1-xPdx alloys with x=000, 025, 050, 075, and 100, respectively. By decreasing the Pd content, the magnetism of fcc Fe1-xPdx alloys changes from paramagnetism to ferromagnetism, ferrimagnetism, and finally antiferromagnetism or ferromagnetism. On the other hand, the magnetism of bcc Fe1-xPdx alloys changes from paramagnetism to ferromagnetism. Our calculations are in good agreement with previous experimental results. And we predict that the Fe075Pd025 alloys are ferrimagnetism.

     

    目录

    /

    返回文章
    返回