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Co1-xMnx合金的磁性强烈地依赖于其结构以及Mn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Co1-xMnx合金的电子结构和基态磁性.随x的增大，fcc结构的Co1-xMnx合金的磁性从铁磁性和亚铁磁性变为反铁磁性；bcc结构CoThe magnetism of Co1-xMnx alloys strongly depends on their structure and the Mn content.An ab initio linearized augmented plane wave (LAPW)method has been carried out to provide the electronic and magnetic structures for the fcc and bcc Co1-xMnx alloys with x=0.00,0.25,0.50,0.75 and 1.00. By increasing the Mn content,the magnetism of fcc Co1-xMnx alloys changes from ferromagnetism to ferrimagnetism,finally to antiferromagnetism;on the other hand, the magnetism of bcc Co1-xMnx alloys changes from ferromagnetism to ferrimagnetism.A good agreement is reached between out calculations and the previous experimental results.
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物理学报. 1999, 48(12): 2369-2376.
doi: 10.7498/aps.48.2369.
Co1-xMnx合金电子结构和磁性的理论研究
- 收稿日期: 1999-02-07
- 修回日期: 1999-03-14
- 刊出日期: 1999-06-05
摘要: Co1-xMnx合金的磁性强烈地依赖于其结构以及Mn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Co1-xMnx合金的电子结构和基态磁性.随x的增大，fcc结构的Co1-xMnx合金的磁性从铁磁性和亚铁磁性变为反铁磁性；bcc结构Co
English Abstract
THEORETICAL STUDY OF THE STRUCTURE AND MAGNETISM OF Co1-xMnx ALLOYS
- Received Date:
07 February 1999
- Accepted Date:
14 March 1999
- Published Online:
05 June 1999
Abstract: The magnetism of Co1-xMnx alloys strongly depends on their structure and the Mn content.An ab initio linearized augmented plane wave (LAPW)method has been carried out to provide the electronic and magnetic structures for the fcc and bcc Co1-xMnx alloys with x=0.00,0.25,0.50,0.75 and 1.00. By increasing the Mn content,the magnetism of fcc Co1-xMnx alloys changes from ferromagnetism to ferrimagnetism,finally to antiferromagnetism;on the other hand, the magnetism of bcc Co1-xMnx alloys changes from ferromagnetism to ferrimagnetism.A good agreement is reached between out calculations and the previous experimental results.
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