基于第一性原理计算的磁性吸收剂电磁参数预测  

Prediction of electromagnetic parameters for magnetic absorbers based on first-principles calculations

作　　者：刘佳熙 白兴智 张楠 陆海鹏[1] LIU Jiaxi;BAI Xingzhi;ZHANG Nan;LU Haipeng(Key Laboratory of Multi-Spectral Absorbing Materials and Structures of Ministry of Education,National Engineering Research Center of Electromagnetic Radiation Control Materials,School of Electronic Science and Engineering,University of Electronic Science and Technology of China,Chengdu 611731,China;College of Optoelectronic Engineering,Chongqing University of Posts and Telecommunications,Chongqing 400065,China)

机构地区：[1]电子科技大学电子科学与工程学院国家电磁辐射控制材料工程技术研究中心多频谱吸波材料与结构教育部重点实验室,四川成都611731 [2]重庆邮电大学光电工程学院,重庆400065

出　　处：《电子元件与材料》2025年第1期1-8,共8页Electronic Components And Materials

基　　金：国家自然科学基金(51972046)。

摘　　要：磁性吸收剂是吸波材料的重要组成部分,其性能优化与设计一直是该领域的研究前沿。本研究结合第一性原理计算与经典电磁理论,从微观到宏观,分析原子组成结构与磁性吸收剂微波电磁参数之间的关系,实现吸收剂的跨尺度研究。采用第一性原理计算的方法,选取Fe_(15)Si、FeCo、Fe_(12)Si_(2)A_(l2)三种典型球状磁性吸收剂作为研究对象,计算得到材料的静态电磁参数。通过将朗道-利夫希茨-吉尔伯特(LLG)方程及德拜关系与有效媒质理论相结合,成功实现了0.5~18 GHz微波频段电磁参数的预测。通过与实测结果对比,验证了预测的准确性与可靠性,为磁性吸波材料的优化设计提供了理论依据。The magnetic absorbers are essential components of the wave-absorbing materials.Due to their broad application prospects,they have attracted widespread attention,with their performance optimization and design remaining at the research forefront.In this study,the first-principles calculations with classical electromagnetic theory was combined to analyze the relationship between the atomic composition structures and microwave electromagnetic parameters of the magnetic absorbers from microscopic to macroscopic scales,and a multi-scale investigation of absorbers was achieved.Using the first-principles calculations,the static electromagnetic parameters of three typical spherical magnetic absorbers Fe_(15)Si,FeCo and Fe_(12)Si_(2)A_(l2)were calculated.By combining the Landau-Lifshitz-Gilbert(LLG)equation and Debye relation with effective medium theory,the electromagnetic parameters in the 0.5-18 GHz microwave frequency range were successfully predicted.By comparing with experimental results,the accuracy and reliability of the predictions were verified.This work provides a theoretical basis for the optimized design of the magnetic microwave-absorbing materials.

关 键 词：磁性吸收剂 第一性原理计算 有效媒质理论 电磁参数 

分 类 号：TM25[一般工业技术—材料科学与工程]