La0.67Sr0.33MnO3薄膜相图的轨道弹性调控

Orbital elasticity control of phase diagram for La0.67Sr0.33MnO3 films

高昂 ¹张庆华 ²刘倬卉 ²孟繁琦 ³尚彤彤 ³尼浩 ⁴黄河意 ²杜剑宇 ²李欣岩 ²于搏涛 ¹苏东 ²金奎娟 ²葛琛 ²吉彦舟 ⁵王博 ⁵余倩 ⁶张泽 ⁶陈龙庆 ⁵谷林 ¹南策文³

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作者信息

1. Beijing National Center for Electron Microscopy and Laboratory of Advanced Materials,School of Materials Science and Engineering,Tsinghua University,Beijing 100084,China
2. Beijing National Laboratory for Condensed Matter Physics,Institute of Physics,Chinese Academy of Sciences,Beijing 100190,China
3. State Key of Laboratory of New Ceramics and Fine Processing,School of Materials Science and Engineering,Tsinghua University,Beijing 100084,China
4. College of Science,China University of Petroleum(East China),Qingdao 266580,China
5. Materials Research Institute and Department of Materials Science and Engineering,The Pennsylvania State University,University Park,PA,16802 USA
6. School of Materials Science and Engineering,Zhejiang University,Hangzhou 312227,China
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摘要

过渡金属氧化物具有丰富的功能性,但其错综复杂的内部自由度对相图绘制和结构设计提出了挑战.本文中,我们引入了描述相图物理起源的轨道能级序(ELO),并通过对La0.67Sr0.33MnO3(LSMO)氧化物的研究证明了其在相图预测中的有效性.结合DFT计算和实验,我们构建了氧含量和应变关联的LSMO相图,结果表明LSMO结构稳定性与ELO密切相关.据此发现了一种由ELO演化而产生的四倍氧有序相.最后,我们提出了描述轨道分裂程度的轨道弹性定律,阐明了ELO演化的起源,助力功能氧化物的设计.这项研究拓宽了材料科学领域的性能调控手段,并为从轨道角度预测相图提供了思路.

Abstract

Transition metal oxides display rich function-alities,but intricate internal degrees of freedom pose a chal-lenge to understanding phase diagrams as a road map for material exploration.Here,the order of orbital energy level(ELO)as a physical principle of phase diagrams is introduced and demonstrated to be effective by employing La0.67Sr0.33-MnO3(LSMO)oxides.A phase diagram of LSMO associated with the oxygen content and strain is built combining DFT calculations and experiments,in which the structural stability is closely related to ELO.We thereby find a new phase with four-fold oxygen ordering as a result of ELO evolution.More important,orbital elasticity law,describing the degree of or-bital splitting,is proposed to clarify the origin of ELO evo-lution,with the objective of design of functional oxides with specific functionality.This work broadens the means of per-formance modulation in the field of materials science and opens up an opportunity for phase diagram prediction from an orbital perspective.

关键词

phase diagram/orbital energy level/orbital elasticity law/structural design/La0.67Sr0.33MnO3 films

Key words

phase diagram/orbital energy level/orbital elasticity law/structural design/La0.67Sr0.33MnO3 films

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基金项目

Beijing Natural Science Foundation(Z190010)

National Key Basic Research Program of China(2017YFA0303604)

National Key Basic Research Program of China(2019YFA0308500)

Key research projects of Frontier Science of Chinese Academy of Sciences(QYZDB-SSW-JSC035)

Youth Innovation Promotion Association of CAS(2018008)

National Natural Science Foundation of China(51672307)

National Natural Science Foundation of China(51991344)

National Natural Science Foundation of China(52025025)

National Natural Science Foundation of China(52072400)

National Natural Science Foundation of China(12074416)

National Natural Science Foundation of China(12074434)

National Natural Science Foundation of China(52250402)

China National Postdoctoral Program for Innovative Talents(BX20220166)

China Postdoctoral Science Foundation(2023M731863)

beamline of Beijing Synchrotron Radiation Facility(BSRF)(4B9B)

出版年

2024

中国科学:材料科学(英文)

CSTPCD

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参考文献量40

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