Modifying the Electronic Orbitals of Nickelate Heterostructures via Structural Distortions

作     者：Hanghui Chen Divine P. Kumah Ankit S. Disa Frederick J. Walker Charles H. Ahn Sohrab Ismail-Beigi 

作者机构：Department of Physics Columbia University New York New York 10027 USA Department of Applied Physics and Applied Mathematics Columbia University New York New York 10027 USA Department of Applied Physics Yale University New Haven Connecticut 06520 USA Department of Mechanical Engineering and Materials Science Yale University New Haven Connecticut 06520 USA 

出 版 物：《Physical Review Letters》 (Phys Rev Lett)

年 卷 期：2013年第110卷第18期

页      面：186402-186402页

核心收录：

学科分类：07[理学] 0702[理学-物理学] 

基　　金：National Science Foundation  NSF  (1119826) 

主　　题：HETEROSTRUCTURES ELECTRONIC structure HIGH temperature superconductors CHARGE transfer ELECTRIC fields SUPERLATTICES 

摘      要：We describe a general materials design approach that produces large orbital energy splittings (orbital polarization) in nickelate heterostructures, creating a two-dimensional single-band electronic surface at the Fermi energy. The resulting electronic structure mimics that of the high temperature cuprate superconductors. The two key ingredients are (i) the construction of atomic-scale distortions about the Ni site via charge transfer and internal electric fields, and (ii) the use of three-component (tricomponent) superlattices to break inversion symmetry. We use ab initio calculations to implement the approach, with experimental verification of the critical structural motif that enables the design to succeed.