Interfacial Charge Transfer and Its Impact on Transport Properties of LaNiO/LaFeO Superlattices

Overview

Journal Sci Adv

Specialties Biology
Science

Date 2024 Dec 18

PMID 39693436

Authors

Le Wang

Zhifei Yang

Krishna Prasad Koirala

Mark E Bowden

John W Freeland

Peter V Sushko

Cheng-Tai Kuo

Scott A Chambers

Chongmin Wang

Bharat Jalan

Yingge Du

Affiliations

Soon will be listed here.

Abstract

Charge transfer or redistribution at oxide heterointerfaces is a critical phenomenon, often leading to remarkable properties such as two-dimensional electron gas and interfacial ferromagnetism. Despite studies on LaNiO/LaFeO superlattices and heterostructures, the direction and magnitude of the charge transfer remain debated, with some suggesting no charge transfer due to the high stability of Fe (3d). Here, we synthesized a series of epitaxial LaNiO/LaFeO superlattices and demonstrated partial (up to ~0.5 e/interface unit cell) charge transfer from Fe to Ni near the interface, supported by density functional theory simulations and spectroscopic evidence of changes in Ni and Fe oxidation states. The electron transfer from LaFeO to LaNiO and the subsequent rearrangement of the Fe 3d band create an unexpected metallic ground state within the LaFeO layer, strongly influencing the in-plane transport properties across the superlattice. Moreover, we establish a direct correlation between interfacial charge transfer and in-plane electrical transport properties, providing insights for designing functional oxide heterostructures with emerging properties.

References

Gibert M, Viret M, Zubko P, Jaouen N, Tonnerre J, Torres-Pardo A . Interlayer coupling through a dimensionality-induced magnetic state. Nat Commun. 2016; 7:11227. PMC: 4835538. DOI: 10.1038/ncomms11227. View

Liao Z, Gauquelin N, Green R, Muller-Caspary K, Lobato I, Li L . Metal-insulator-transition engineering by modulation tilt-control in perovskite nickelates for room temperature optical switching. Proc Natl Acad Sci U S A. 2018; 115(38):9515-9520. PMC: 6156682. DOI: 10.1073/pnas.1807457115. View

Wang L, Yang Z, Yin X, Taylor S, He X, Tang C . Spontaneous phase segregation of SrNiO and SrNiO during SrNiO heteroepitaxy. Sci Adv. 2021; 7(10). PMC: 7935367. DOI: 10.1126/sciadv.abe2866. View

Kresse , Furthmuller . Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B Condens Matter. 1996; 54(16):11169-11186. DOI: 10.1103/physrevb.54.11169. View

Okamoto S, Nichols J, Sohn C, Kim S, Noh T, Lee H . Charge Transfer in Iridate-Manganite Superlattices. Nano Lett. 2017; 17(4):2126-2130. DOI: 10.1021/acs.nanolett.6b04107. View

Cao Y, Liu X, Kareev M, Choudhury D, Middey S, Meyers D . Engineered Mott ground state in a LaTiO(3+δ)/LaNiO3 heterostructure. Nat Commun. 2016; 7:10418. PMC: 4735946. DOI: 10.1038/ncomms10418. View

Chen X, Zhang X, Koten M, Chen H, Xiao Z, Zhang L . Interfacial Charge Engineering in Ferroelectric-Controlled Mott Transistors. Adv Mater. 2017; 29(31). DOI: 10.1002/adma.201701385. View

Ohtomo A, Hwang H . A high-mobility electron gas at the LaAlO3/SrTiO3 heterointerface. Nature. 2004; 427(6973):423-6. DOI: 10.1038/nature02308. View

Yi D, Liu J, Hsu S, Zhang L, Choi Y, Kim J . Atomic-scale control of magnetic anisotropy via novel spin-orbit coupling effect in La2/3Sr1/3MnO3/SrIrO3 superlattices. Proc Natl Acad Sci U S A. 2016; 113(23):6397-402. PMC: 4988617. DOI: 10.1073/pnas.1524689113. View

10.

Guo H, Li Z, Zhao L, Hu Z, Chang C, Kuo C . Antiferromagnetic correlations in the metallic strongly correlated transition metal oxide LaNiO. Nat Commun. 2018; 9(1):43. PMC: 5752676. DOI: 10.1038/s41467-017-02524-x. View

11.

Zheng J, Shi W, Li Z, Zhang J, Yang C, Zhu Z . Charge-Transfer-Induced Interfacial Ferromagnetism in Ferromagnet-Free Oxide Heterostructures. ACS Nano. 2024; 18(12):9232-9241. DOI: 10.1021/acsnano.4c01910. View

12.

Perdew J, Ruzsinszky A, Csonka G, Vydrov O, Scuseria G, Constantin L . Restoring the density-gradient expansion for exchange in solids and surfaces. Phys Rev Lett. 2008; 100(13):136406. DOI: 10.1103/PhysRevLett.100.136406. View

13.

Kante M, Weber M, Ni S, van den Bosch I, van der Minne E, Heymann L . A High-Entropy Oxide as High-Activity Electrocatalyst for Water Oxidation. ACS Nano. 2023; 17(6):5329-5339. PMC: 10061923. DOI: 10.1021/acsnano.2c08096. View

14.

Kleibeuker J, Zhong Z, Nishikawa H, Gabel J, Muller A, Pfaff F . Electronic reconstruction at the isopolar LaTiO(3)/LaFeO(3) interface: an X-ray photoemission and density-functional theory study. Phys Rev Lett. 2014; 113(23):237402. DOI: 10.1103/PhysRevLett.113.237402. View

15.

Wang L, Yang Z, Bowden M, Freeland J, Sushko P, Spurgeon S . Hole-Trapping-Induced Stabilization of Ni in SrNiO /LaFeO Superlattices. Adv Mater. 2020; 32(45):e2005003. DOI: 10.1002/adma.202005003. View

16.

Petrie J, Cooper V, Freeland J, Meyer T, Zhang Z, Lutterman D . Enhanced Bifunctional Oxygen Catalysis in Strained LaNiO3 Perovskites. J Am Chem Soc. 2016; 138(8):2488-91. DOI: 10.1021/jacs.5b11713. View

17.

Wang L, Ju S, You L, Qi Y, Guo Y, Ren P . Competition between strain and dimensionality effects on the electronic phase transitions in NdNiO3 films. Sci Rep. 2015; 5:18707. PMC: 4685315. DOI: 10.1038/srep18707. View

18.

Wang L, Chang L, Yin X, Rusydi A, You L, Zhou Y . Localization-driven metal-insulator transition in epitaxial hole-doped Nd Sr NiO ultrathin films. J Phys Condens Matter. 2016; 29(2):025002. DOI: 10.1088/0953-8984/29/2/025002. View

19.

Colliex , Manoubi , ORTIZ . Electron-energy-loss-spectroscopy near-edge fine structures in the iron-oxygen system. Phys Rev B Condens Matter. 1991; 44(20):11402-11411. DOI: 10.1103/physrevb.44.11402. View

20.

Hwang J, Rao R, Giordano L, Katayama Y, Yu Y, Shao-Horn Y . Perovskites in catalysis and electrocatalysis. Science. 2017; 358(6364):751-756. DOI: 10.1126/science.aam7092. View