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DOI	10.1073/pnas.1818728116
	Disentangling lattice and electronic contributions to the metal–insulator transition from bulk vs. Layer confined RNiO3
	Georgescu A.B.; Peil O.E.; Disa A.S.; Georges A.; Millis A.J.
发表日期	2019
ISSN	0027-8424
起始页码	14434
结束页码	14439
卷号	116 期号:29
英文摘要	In complex oxide materials, changes in electronic properties are often associated with changes in crystal structure, raising the question of the relative roles of the electronic and lattice effects in driving the metal–insulator transition. This paper presents a combined theoretical and experimental analysis of the dependence of the metal–insulator transition of NdNiO3 on crystal structure, specifically comparing properties of bulk materials to 1- and 2-layer samples of NdNiO3 grown between multiple electronically inert NdAlO3 counterlayers in a superlattice. The comparison amplifies and validates a theoretical approach developed in previous papers and disentangles the electronic and lattice contributions, through an independent variation of each. In bulk NdNiO3, the correlations are not strong enough to drive a metal–insulator transition by themselves: A lattice distortion is required. Ultrathin films exhibit 2 additional electronic effects and 1 lattice-related effect. The electronic effects are quantum confinement, leading to dimensional reduction of the electronic Hamiltonian and an increase in electronic bandwidth due to counterlayer-induced bond-angle changes. We find that the confinement effect is much more important. The lattice effect is an increase in stiffness due to the cost of propagation of the lattice disproportionation into the confining material. © 2019 National Academy of Sciences. All rights reserved.
英文关键词	Epitaxial constraint; Heterostructure; Layer confinement; Metal–insulator transition; Transition metal oxide
语种	英语
scopus关键词	lanthanide; neodymium; nickel trioxide; unclassified drug; Article; chemical analysis; chemical bond; chemical modification; chemical structure; crystal structure; electrical parameters; physical chemistry; physical parameters; priority journal
来源期刊	Proceedings of the National Academy of Sciences of the United States of America
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/160426
作者单位	Georgescu, A.B., Center for Computational Quantum Physics, Flatiron Institute, New York, NY 10010, United States; Peil, O.E., Group of Computational Materials Design, Materials Center Leoben, Leoben, 8700, Austria; Disa, A.S., Condensed Matter Department, Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, 22761, Germany; Georges, A., Center for Computational Quantum Physics, Flatiron Institute, New York, NY 10010, United States, Institut de Physique, Collège de France, Paris, 75005, France, Centre de Physique Théorique Ecole Polytechnique, CNRS, Universite Paris-Saclay, Palaiseau, 91128, France, Department of Quantum Matter Physics, University of Geneva, Geneva 4, 1211, Switzerland; Millis, A.J., Center for Computational Quantum Physics, Flatiron Institute, New York, NY 10010, United States, Department of Physics, Columbia University, New York, NY 10027, United States
推荐引用方式 GB/T 7714	Georgescu A.B.,Peil O.E.,Disa A.S.,等. Disentangling lattice and electronic contributions to the metal–insulator transition from bulk vs. Layer confined RNiO3[J],2019,116(29).
APA	Georgescu A.B.,Peil O.E.,Disa A.S.,Georges A.,&Millis A.J..(2019).Disentangling lattice and electronic contributions to the metal–insulator transition from bulk vs. Layer confined RNiO3.Proceedings of the National Academy of Sciences of the United States of America,116(29).
MLA	Georgescu A.B.,et al."Disentangling lattice and electronic contributions to the metal–insulator transition from bulk vs. Layer confined RNiO3".Proceedings of the National Academy of Sciences of the United States of America 116.29(2019).