| 引用本文格式: Yang Yu-Hao,Hou Ting-Ping,Jiang Geng-Ping,Shi You-Guo,Liu Wu-Ming,Wu Kai-Ming. Mechanism and experimental verification of the magnetic evolution of carbide M6C [J]. J. At. Mol. Phys., 2026, 43: 046006 (in Chinese) [杨雨豪,侯廷平,蒋更平,石友国,刘伍明,吴开明. 碳化物M6C磁性演变机理及实验验证 [J]. 原子与分子物理学报, 2026, 43(4): 046006] |
| |
| 碳化物M6C磁性演变机理及实验验证 |
| Mechanism and experimental verification of the magnetic evolution of carbide M6C |
| 摘要点击 788 全文点击 192 投稿时间：2025-02-24 修订日期：2025-04-17 |
| 查看全文 查看/发表评论 |
| DOI编号
10.19855/j.1000-0364.2026.046006 |
| 中文关键词
M6C碳化物 单晶制备 微磁学 第一性原理 矫顽力 |
| 英文关键词
M6C carbides Single samlpes Micromagnetism First-principles calculations Coercivity |
| 基金项目
国家自然科学基金(12174296, 12234012, 12334012, 52327808)；国家重点研发计划(2021YFA1400900, 2021YFA0718300, 2024YFF0726700)； |
|
|
| 中文摘要
|
| 作为钢铁材料中的关键强化相，M6C(M = Fe、Mo)在材料性能优化中具有重要作用。然而，目前对其磁性能的研究主要集中于宏观层面，缺乏对微观机制的深入探讨。本研究旨在通过第一性原理计算与微磁学模拟，揭示M6C碳化物磁性的微观机制，并结合实验验证其磁学行为。第一性原理计算结果表明，Fe元素的Wyckoff位置是决定碳化物固有磁性的主要原因。单晶样品证实了理论预测的磁学特性。微磁学模拟结果显示，磁化时磁矩在外场作用下形成多畴结构，矫顽力主要受畴壁运动阻力影响，机制以钉扎型为主。反磁化过程中，界面厚度增加使矫顽力先增后减，因交换作用与畴壁钉扎效应的平衡变化导致。温度升高减少磁滞回线面积，材料磁性趋于无序，表现出顺磁性特征。本研究不仅深化了对M6C碳化物磁性本质的理解，还为磁性和结构特征之间的相互作用提供了新视角。 |
| 英文摘要
|
| As a key reinforcing phase in steel materials, M6C (M = Fe, Mo) plays an important role in the optimisation of material properties. However, the current studies on its magnetic properties mainly focus on the macroscopic level and lack an in-depth exploration of the microscopic mechanisms. The aim of this study is to reveal the microscopic mechanism of the magnetic properties of M6C carbides through first-principle calculations and micromagnetism simulations, and to validate their magnetic behaviours in combination with experiments. The results of first-principles calculations show that the Wyckoff position of the Fe element is the key reason for determining the intrinsic magnetic properties of the carbide. Single-crystal samples confirm the theoretically predicted magnetic properties. Micromagnetism simulation results show that the magnetic moments form a multi-domain structure under the external field during magnetisation, and the coercivity is mainly affected by the resistance to domain wall motion, with the mechanism being predominantly pinning type. During the demagnetisation process, the interface thickness increases so that the coercivity increases and then decreases due to the change in the balance between the exchange interaction and the pinning effect of the domain walls. The increase in temperature reduces the hysteresis loop area, and the magnetic properties of the material tend to be disordered, showing paramagnetic characteristics.This study not only deepens the understanding of the magnetic nature of M6C carbides, but also provides a new perspective on the interaction between magnetic and structural features. |
|
|
|
|
|
