基于第一性原理计算的磁性吸收剂电磁参数预测

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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

中图分类号：TM25

文献标识码：A

DOI：1014106/jcnki1001-202820251488

引用格式：刘佳熙， 白兴智， 张楠， 等. 基于第一性原理计算的磁性吸收剂电磁参数预测 [J]. 电子元件与材料，2025， 44（1）： 1-8.

Reference format： LIU Jiaxi， BAI Xingzhi， ZHANG Nan， et al. Prediction of electromagnetic parameters for magnetic absorbers based on first-principles calculations [J]. Electronic Components and Materials，2025， 44（1）：  1-8.

Prediction of electromagnetic parameters for magnetic absorbers

based on first-principles calculations

LIU Jiaxi1，BAI Xingzhi1， ZHANG Nan 2， LU Haipeng1

（1 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; 2 College of Optoelectronic Engineering，

Chongqing University of Posts and Telecommunications， Chongqing 400065， China）

Abstract：  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 Fe15Si， FeCo， and Fe12Si2Al2 were calculated. By combining the Landau-Lifshitz-Gilbert （LLG） equation and Debye relation with effective medium theory， the electromagnetic parameters in the 05-18 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.

Keywords： magnetic absorbers; the first-principles calculations; effective medium theory; electromagnetic parameters

随着电磁技术的迅速发展，磁性吸收剂凭借其在电磁波吸收和电磁兼容领域的独特优势而备受关注。（剩余19142字）