| The first principles investigation of ferrite magnetic response with mismatch stress | |
| Huang JunPing1,3; Peng XiangHe1; Hu XianZhi2 | |
| 2014-03 | |
| 发表期刊 | Science China-Physics Mechanics & Astronomy
 |
| ISSN | 1674-7348 |
| EISSN | 1869-1927 |
| 卷号 | 57期号:3页码:512-520 |
| 摘要 | The quasi-ferrite model is proposed and an appropriate PBE exchange functional with the spin density functional theory (SDFT) is selected for the calculation of the relation between magnetic moment and residual stress in ferrite using a quantum mechanics code. The relationship between ferrite magnetism and the carbon content is determined, and then a ferrite interstitial solid solution (ISS) model in a low carbon concentration state is replaced with an alpha-Fe model in the case of majority magnetic calculation. The band structure of the loaded alpha-Fe is compared with that of the unloaded alpha-Fe. The comparison shows that the energy of Fe atomic 3d orbital changes a little, while the energy of electron orbital of iron core below 3d almost keeps unchanged. The relationship between the magnetic moment and the stress appears intermittent due to the Bragg total reflection. The change in the magnetic moment due to lattice mismatch is much larger than that caused by mechanical loading. |
| 关键词 | the first-principles calculation SDFT quasi-ferrite lattice mismatch residual stress |
| DOI | 10.1007/s11433-013-5189-z |
| 收录类别 | SCIE |
| 语种 | 英语 |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Multidisciplinary |
| WOS记录号 | WOS:000331961200016 |
| 出版者 | SCIENCE PRESS |
| 原始文献类型 | Article |
| 出版地 | BEIJING |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | https://ir.cqcet.edu.cn/handle/39TD4454/3661 |
| 专题 | 重庆电子科技职业大学 |
| 作者单位 | 1.Chongqing Univ, Dept Engn Mech, Chongqing 400044, Peoples R China; 2.Kunming Univ Sci & Technol, Fac Sci, Kunming 650093, Peoples R China; 3.Chongqing Vocat Inst Engn, Sch Mech Engn, Chongqing 400037, Peoples R China |
| 推荐引用方式 GB/T 7714 | Huang JunPing,Peng XiangHe,Hu XianZhi. The first principles investigation of ferrite magnetic response with mismatch stress[J]. Science China-Physics Mechanics & Astronomy,2014,57(3):512-520. |
| APA | Huang JunPing,Peng XiangHe,&Hu XianZhi.(2014).The first principles investigation of ferrite magnetic response with mismatch stress.Science China-Physics Mechanics & Astronomy,57(3),512-520. |
| MLA | Huang JunPing,et al."The first principles investigation of ferrite magnetic response with mismatch stress".Science China-Physics Mechanics & Astronomy 57.3(2014):512-520. |
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