Mn-Mo ferrites doped with rare earth element for enhancing EMI shielding: A DFT calculation and experimental comparison

HM Fayzan Shakir, Tingkai Zhao, M. Umar Farooq, Abdul Jalil

Research output: Contribution to journalArticlepeer-review

Abstract

To develop advanced electromagnetic interference (EMI) shielding materials, Mn-Mo ferrites doped with Ce were investigated for their electric, dielectric, and magnetic properties. Using Density Functional Theory (DFT) calculation, the effect of doping different elements was evaluated in ferrite structures to optimize the performance of these ferrites. The calculated results revealed that the Mn-Mo ferrites which combined with Ce significantly lowered the bandgap and increased the total density of states (TDOS), leading to improved electrical conductivity. Additionally, the dielectric constant (ε') dielectric loss (ε'') and AC conductivity were found to be highest in the Mn-Mo-Ce-doped ferrites, contributing to superior EMI shielding effectiveness (SE), particularly in the low-frequency range. Mn-Mo-Ce doped ferrite was synthesized using auto-combustion method and evaluated for the EMI SE. The experimental and DFT calculated EMI SE both are close to 55 dB. This computational and experimental analysis, supported by structural and electronic localization function (ELF) mapping, underscores the potential of Mn-Mo-Ce-doped ferrites as highly efficient materials for EMI shielding in advanced electronic applications.

Original languageEnglish
Pages (from-to)183-190
Number of pages8
JournalJournal of Materials Science and Technology
Volume224
DOIs
StatePublished - 20 Jul 2025

Keywords

  • Cerium
  • Density Functional Theory (DFT)
  • Doping
  • EMI shielding
  • Ferrites

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