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铁电体作为电子用途异质结构组件的优势:密度泛函理论洞察

Advantages of Ferroelectrics as a Component of Heterostructures for Electronic Purposes: A DFT Insight.

作者信息

Piyanzina Irina, Evseev Alexander, Evseev Kirill, Mamin Rinat, Nedopekin Oleg, Tayurskii Dmitrii, Kabanov Viktor

机构信息

Institute of Physics, Kazan Federal University, 420008 Kazan, Russia.

Zavoisky Physical-Technical Institute, FRC Kazan Scientific Center of RAS, 420029 Kazan, Russia.

出版信息

Materials (Basel). 2023 Oct 13;16(20):6672. doi: 10.3390/ma16206672.

DOI:10.3390/ma16206672
PMID:37895654
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10607958/
Abstract

The main advantage of using ferroelectric materials as a component of complex heterostructures is the ability to tune various properties of the whole system by means of an external electric field. In particular, the electric field may change the polarization direction within the ferroelectric material and consequently affect the structural properties, which in turn affects the electronic and magnetic properties of the neighboring material. In addition, ferroelectrics allow the electrostriction phenomenon to proceed, which is promising and can be used to affect the magnetic states of the interface state in the heterostructure through a magnetic component. The interfacial phenomena are of great interest, as they provide extended functionality useful for next-generation electronic devices. Following the idea of utilizing ferroelectrics in heterostructural components in the present works, we consider 2DEG, the Rashba effect, the effect of magnetoelectric coupling, and magnetostriction in order to emphasize the advantages of such heterostructures as components of devices. For this purpose, model systems of LaMnO3/BaTiO3, La2CuO4/BaTiO3, Bi/BaTiO3, and Bi/PbTiO3, Fe/BaTiO3 heterostructures are investigated using density functional theory calculations.

摘要

将铁电材料用作复杂异质结构的组件,其主要优势在于能够通过外部电场调节整个系统的各种特性。特别是,电场可改变铁电材料内部的极化方向,进而影响其结构特性,这反过来又会影响相邻材料的电学和磁学特性。此外,铁电体可使电致伸缩现象发生,这很有前景,并且可通过磁性组件用于影响异质结构中界面态的磁态。界面现象备受关注,因为它们为下一代电子器件提供了扩展功能。遵循当前工作中在异质结构组件中利用铁电体的思路,我们考虑二维电子气、 Rashba 效应、磁电耦合效应和磁致伸缩,以强调此类异质结构作为器件组件的优势。为此,使用密度泛函理论计算研究了 LaMnO3/BaTiO3、La2CuO4/BaTiO3、Bi/BaTiO3、Bi/PbTiO3、Fe/BaTiO3 异质结构的模型系统。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d966/10607958/55792280c243/materials-16-06672-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d966/10607958/3c73c35b6719/materials-16-06672-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d966/10607958/7057473facc4/materials-16-06672-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d966/10607958/9c0e85f320cc/materials-16-06672-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d966/10607958/b66c1c509304/materials-16-06672-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d966/10607958/8ae0b02cc5e2/materials-16-06672-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d966/10607958/55792280c243/materials-16-06672-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d966/10607958/3c73c35b6719/materials-16-06672-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d966/10607958/7057473facc4/materials-16-06672-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d966/10607958/9c0e85f320cc/materials-16-06672-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d966/10607958/b66c1c509304/materials-16-06672-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d966/10607958/8ae0b02cc5e2/materials-16-06672-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d966/10607958/55792280c243/materials-16-06672-g006.jpg

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