Electronic structure of cuprate–nickelate infinite-layer heterostructure

被引：0

作者：

陈大川 ^{[1
,2
]}

Paul Worm ^{[3
]}

司良 ^{[4
,3
]}

张春小 ^{[5
]}

邓凤麟 ^{[1
]}

蒋沛恒 ^{[1
]}

钟志诚 ^{[1
]}

机构：

[1] CAS Key Laboratory of Magnetic Materials and Devices & Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology,Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences

[2] College of Materials Science and Opto-Electronic Technology, University of Chinese Academy of Sciences

[3] Institut für Festk?rperphysik,TU Wien

[4] School of Physics, Northwest University

[5] School of Physics and Optoelectronic Engineering, Shandong University of Technology

来源：

Chinese Physics B | 2023年 / 32卷 / 08期

基金：

中国国家自然科学基金;

关键词：

D O I：

暂无

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The discovery of superconductivity in Sr/Ca-doped infinite-layer nickelates Nd(La)Ni O2thin films inspired extensive experimental and theoretical research. However, research on the possibilities of enhanced critical temperature by interface heterostructure is still lacking. Due to the similarities of the crystal structure and band structure of infinite-layer nickelate La Ni O2and cuprate Ca Cu O2, we investigate the crystal, electronic and magnetic properties of La Ni O2:Ca Cu O2heterostructure using density functional theory and dynamical mean-field theory. Our theoretical results demonstrate that,even a very weak inter-layer z-direction bond is formed, an intrinsic charge transfer between Cu-3dx2-y2and Ni-3d(x2-y2)orbitals is obtained. The weak interlayer hopping between Cu and Ni leaves a parallel band contributed by Ni/Cu-3d(x2-y2)orbitals near the Fermi energy. Such an infinite-layer heterostructure with negligible interlayer interaction and robust charge transfer opens a new way for interface engineering and nickelate superconductors.

引用

页码：456 / 461

页数：6

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