| Autor: |
DONG Xue, MA Shuang, WU Xiao-xia, NA Ri-su |
| Jazyk: |
čínština |
| Rok vydání: |
2019 |
| Předmět: |
|
| Zdroj: |
Cailiao gongcheng, Vol 47, Iss 3, Pp 147-153 (2019) |
| Druh dokumentu: |
article |
| ISSN: |
1001-4381 |
| DOI: |
10.11868/j.issn.1001-4381.2017.000002 |
| Popis: |
The lattice parameter, local magnetic moment and the relative stability of ferromagnetic bcc and antiferromagnetic fcc phases structure of Fe52T2(T=Cr,Mn,Co,Ni) alloys were studied by first principles method based on density functional theory. The results show that the dependence of lattice parameters and bulk modulus on the d shell electron number of dopant elements cannot be simply explained by the d band filling image. This fact suggests that there is a strong magneto-structural coupling effect in FeT alloys. For FeT alloys, the ferromagnetic bcc phase is more stable compared with the fcc phase. The antiferromagnetic phase is tetragonal with c/a ratio about 1.07, and this phase structure can be a metastable state. The change of lattice structure leads to redistribution of electrons, and thus results in different magnetic order and local magnetic moment. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
|
