从第一原理看铁电畴对多铁素体异质结构的磁各向异性调制。

IF 7.4 3区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Science and Technology of Advanced Materials Pub Date : 2024-08-12 eCollection Date: 2024-01-01 DOI:10.1080/14686996.2024.2391268

Amran Mahfudh Yatmeidhy, Yoshihiro Gohda

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引用次数: 0

摘要

本文针对铁磁/铁电交界处的多铁性材料进行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。当铁电体畴平行于界面极化时，可观察到 Co2FeSi 的平面内单轴磁各向异性，而当电极化垂直于界面时，平面内的磁各向异性则明显不同。虽然单相效应主导了磁各向异性调制的主要部分，但在铁磁超薄薄膜中观察到了界面效应导致的对称性破坏。磁各向异性调制的起源可归因于 Co2FeSi 中铁电畴改变时特定能带的移动。

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

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 Co₂FeSi 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 Co₂FeSi when the ferroelectric domain is modified.

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来源期刊

Science and Technology of Advanced Materials 工程技术-材料科学：综合

CiteScore

10.60

自引率

3.60%

发文量

审稿时长

4.8 months

期刊介绍： Science and Technology of Advanced Materials (STAM) is a leading open access, international journal for outstanding research articles across all aspects of materials science. Our audience is the international community across the disciplines of materials science, physics, chemistry, biology as well as engineering. The journal covers a broad spectrum of topics including functional and structural materials, synthesis and processing, theoretical analyses, characterization and properties of materials. Emphasis is placed on the interdisciplinary nature of materials science and issues at the forefront of the field, such as energy and environmental issues, as well as medical and bioengineering applications. Of particular interest are research papers on the following topics: Materials informatics and materials genomics Materials for 3D printing and additive manufacturing Nanostructured/nanoscale materials and nanodevices Bio-inspired, biomedical, and biological materials; nanomedicine, and novel technologies for clinical and medical applications Materials for energy and environment, next-generation photovoltaics, and green technologies Advanced structural materials, materials for extreme conditions.