非金属掺杂y2o3的类ruderman - kittel - kasuya - yosida铁磁性

IF 0.7 4区工程技术 Q4 ENGINEERING, ELECTRICAL & ELECTRONIC

Integrated Ferroelectrics Pub Date : 2023-09-02 DOI:10.1080/10584587.2023.2227047

J. Li, M. Luo, Y. H. Shen

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引用次数: 0

摘要

用第一性原理法研究了非金属元素(B、C、N)掺杂钇(Y2O3)的宽间隙半导体。我们主要讨论了两种掺杂剂之间的交换耦合，发现当前情况下的交换耦合对B-B、C-C和N-N距离敏感。在双b掺杂和双n掺杂的Y2O3结构中分别观察到单一铁磁态(FM)和反铁磁态(AFM)。令人惊讶的是，随着C-C距离的增加，FM和AFM之间发生了转变，这是由于C掺杂剂和Y原子之间的p-d杂化导致的rkky -样相互作用。关键词:y2o3铁磁rkky -like相互作用dft计算披露声明作者未报告潜在利益冲突。我们感谢位于深圳的国家超级计算机中心。上海市自然科学基金(批准号:19ZR1419800)资助。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Ruderman–Kittel–Kasuya–Yosida–like Ferromagnetism in Nonmetal Doped Y ₂ O ₃

AbstractA wide-gap semiconductor of Yttria (Y2O3) doped with nonmetal elements (B, C, and N) are investigated by using the first-principles method. We mainly discuss the exchange coupling between two dopants and find that the exchange coupling in current cases are sensitive to the B-B, C-C, and N-N distance. Unitary ferromagnetic (FM) and antiferromagnetic (AFM) states have been observed in the two-B-doped and two-N-doped Y2O3 structures, respectively. Surprisingly, as the C-C distance increases, a transformation between FM and AFM has been found, which shows an RKKY-like interaction due to the p-d hybridization between the C dopant and intrinsic Y atoms.Keywords: Y2O3ferromagneticRKKY-like interactionDFT calculations Disclosure StatementNo potential conflict of interest was reported by the author(s).Additional informationFundingWe thank the National Supercomputer Center in Shenzhen. The work is supported by the Natural Science Foundation of Shanghai (Grant No. 19ZR1419800).

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来源期刊

Integrated Ferroelectrics 工程技术-工程：电子与电气

CiteScore

1.40

自引率

0.00%

发文量

179

审稿时长

3 months

期刊介绍： Integrated Ferroelectrics provides an international, interdisciplinary forum for electronic engineers and physicists as well as process and systems engineers, ceramicists, and chemists who are involved in research, design, development, manufacturing and utilization of integrated ferroelectric devices. Such devices unite ferroelectric films and semiconductor integrated circuit chips. The result is a new family of electronic devices, which combine the unique nonvolatile memory, pyroelectric, piezoelectric, photorefractive, radiation-hard, acoustic and/or dielectric properties of ferroelectric materials with the dynamic memory, logic and/or amplification properties and miniaturization and low-cost advantages of semiconductor i.c. technology.