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通过多功能应变工程实现电子结构的精确调控(英文)

Neat and precise tuning of electronic structures with versatile strain engineering

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【作者】 姚凯潘飞宋力昕张香李立昕饶永朝孙春华袁宾杨洋陆伟

【Author】 Kai Yao;Fei Pan;Lixin Song;Xiang Zhang;Lixin Li;Yongchao Rao;Chunhua Sun;Bin Yuan;Yang Yang;Wei Lu;Shanghai Key Laboratory of D&A for Metal-Functional Materials, School of Materials Science & Engineering, Tongji University;Research Center of Inorganic Coating Materials, Shanghai Institute of Ceramics, Chinese Academy of Sciences;Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences;

【通讯作者】 潘飞;袁宾;杨洋;陆伟;

【机构】 Shanghai Key Laboratory of D&A for Metal-Functional Materials, School of Materials Science & Engineering, Tongji UniversityResearch Center of Inorganic Coating Materials, Shanghai Institute of Ceramics, Chinese Academy of SciencesCenter of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences

【摘要】 Precise tuning of the localized electronic structure in transition metal oxides is key to advancing functional materials, yet conventional chemical methods often introduce un-neat side effects that impede control and complicate mechanistic studies. We propose a neat strategy that uses facile and versatile quenching-induced lattice tensile strain to adjust d–p orbital hybridization in metal–oxygen(M–O)bonds. Studies show that tensile strain boosts Mn 3d and O 2p orbital overlap, lowers Mn 3d energy levels, and enhances their splitting, increasing electron displacement-induced polarization loss. This significantly improves the microwave absorption of oxides, a top candidate for microwave absorbents currently limited by poor absorption performance. The strain-modified Mn2.05Co0.91O4 achieves superior performance: a 7.52 GHz bandwidth(1.93 times that of zero-strain) and a minimum reflection loss of-67.47 dB. This approach’s versatility is confirmed in perovskites, where strained samples exhibit 1.83times the bandwidth of unstrained ones. This study connects lattice strain to electronic structure modulation for microwave absorbers, spintronics, catalysis, and semiconductors.

【Abstract】 Precise tuning of the localized electronic structure in transition metal oxides is key to advancing functional materials, yet conventional chemical methods often introduce un-neat side effects that impede control and complicate mechanistic studies. We propose a neat strategy that uses facile and versatile quenching-induced lattice tensile strain to adjust d–p orbital hybridization in metal–oxygen(M–O)bonds. Studies show that tensile strain boosts Mn 3d and O 2p orbital overlap, lowers Mn 3d energy levels, and enhances their splitting, increasing electron displacement-induced polarization loss. This significantly improves the microwave absorption of oxides, a top candidate for microwave absorbents currently limited by poor absorption performance. The strain-modified Mn2.05Co0.91O4 achieves superior performance: a 7.52 GHz bandwidth(1.93 times that of zero-strain) and a minimum reflection loss of-67.47 dB. This approach’s versatility is confirmed in perovskites, where strained samples exhibit 1.83times the bandwidth of unstrained ones. This study connects lattice strain to electronic structure modulation for microwave absorbers, spintronics, catalysis, and semiconductors.

【基金】 supported by the National Key Research and Development Program of China (2024YFE0100600);the National Natural Science Foundation of China (52373303);the Shanghai Municipal Science and Technology Major Project(2021SHZDZX0100);the Fundamental Research Funds for the Central Universities;the Interdisciplinary Joint Research and Development Project of Tongji University (2024-4-ZD-03)
  • 【文献出处】 Science Bulletin ,科学通报(英文版) , 编辑部邮箱 ,2026年02期
  • 【分类号】TB34
  • 【下载频次】1
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