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基于第一性原理的铁电畴对多铁性异质结构中磁各向异性的调制

Magnetic-anisotropy modulation in multiferroic heterostructures by ferroelectric domains from first principles.

作者信息

Yatmeidhy Amran Mahfudh, Gohda Yoshihiro

机构信息

Department of Materials Science and Engineering, Tokyo Institute of Technology, Yokohama, Japan.

出版信息

Sci Technol Adv Mater. 2024 Aug 12;25(1):2391268. doi: 10.1080/14686996.2024.2391268. eCollection 2024.

DOI:10.1080/14686996.2024.2391268
PMID:39188550
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11346327/
Abstract

First-principles calculations incorporating spin-orbit coupling are presented for a multiferroic material as a ferromagnetic/ferroelectric junction. We simulate the interface effect that cannot be described by the single-phase bulk. The in-plane uniaxial magnetic-anisotropy of CoFeSi is observed when the ferroelectric domain is polarized parallel to the interface, whereas the magnetic anisotropy is significantly different in the plane for the electrical polarization perpendicular to the interface. While the single-phase effect dominates the main part of the modulation of the magnetic anisotropy, symmetry breaking due to the interfacial effect is observed in the ferromagnetic ultrathin films. The origin of the modulated magnetic-anisotropy can be attributed to the shifting of specific energy bands in CoFeSi when the ferroelectric domain is modified.

摘要

针对一种作为铁磁/铁电结的多铁性材料，给出了包含自旋轨道耦合的第一性原理计算。我们模拟了单相块体无法描述的界面效应。当铁电畴平行于界面极化时，观察到CoFeSi的面内单轴磁各向异性，而当电极化垂直于界面时，磁各向异性在平面内有显著差异。虽然单相效应主导了磁各向异性调制的主要部分，但在铁磁超薄膜中观察到了由于界面效应导致的对称性破缺。调制磁各向异性的起源可归因于铁电畴改变时CoFeSi中特定能带的移动。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/204e/11346327/8dad251e7a36/TSTA_A_2391268_F0005_OC.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/204e/11346327/d89b3f8ac0c7/TSTA_A_2391268_UF0001_OC.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/204e/11346327/6ebe61c2d4c6/TSTA_A_2391268_F0001_OC.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/204e/11346327/23ad31baa2c6/TSTA_A_2391268_F0002_OC.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/204e/11346327/24919f16d886/TSTA_A_2391268_F0003_OC.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/204e/11346327/22fdccc55455/TSTA_A_2391268_F0004_OC.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/204e/11346327/8dad251e7a36/TSTA_A_2391268_F0005_OC.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/204e/11346327/d89b3f8ac0c7/TSTA_A_2391268_UF0001_OC.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/204e/11346327/6ebe61c2d4c6/TSTA_A_2391268_F0001_OC.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/204e/11346327/23ad31baa2c6/TSTA_A_2391268_F0002_OC.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/204e/11346327/24919f16d886/TSTA_A_2391268_F0003_OC.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/204e/11346327/22fdccc55455/TSTA_A_2391268_F0004_OC.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/204e/11346327/8dad251e7a36/TSTA_A_2391268_F0005_OC.jpg

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Understanding magnetocrystalline anisotropy based on orbital and quadrupole moments.基于轨道矩和四极矩理解磁晶各向异性。
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