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Title: Evolution of electronic structure across the rare-earth RNiO 3 series

Here, the perovksite rare-earth nickelates, RNiO 3 (R = La… Lu), are a class of materials displaying a rich phase-diagram of metallic and insulating phases associated with charge and magnetic order. Being in the charge transfer regime, Ni 3+ in octahedral coordination displays a strong hybridization with oxygen to form 3d-2p mixed states, which results in a strong admixture of 3d 8L_ into 3d 7, where L_ denotes a hole on the oxygen. To understand the nature of this strongly hybridized ground state, we present a detailed study of the Ni and O electronic structure using high-resolution soft X-ray absorption spectroscopy (XAS). Through a comparison of the evolution of the XAS line-shape at Ni L- and O K-edges across the phase diagram, we explore the changes in the electronic signatures in connection with the insulating and metallic phases that support the idea of hybridization playing a fundamental role.
Authors:
 [1] ;  [2] ;  [3]
  1. Argonne National Lab. (ANL), Argonne, IL (United States)
  2. Northern Illinois Univ., DeKalb, IL (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
  3. Univ. of Arkansas, Fayetteville, AR (United States)
Publication Date:
Grant/Contract Number:
AC02-06CH11357; GBMF4534; 0402-17291
Type:
Accepted Manuscript
Journal Name:
Journal of Electron Spectroscopy and Related Phenomena
Additional Journal Information:
Journal Volume: 208; Journal Issue: C; Journal ID: ISSN 0368-2048
Publisher:
Elsevier
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
Argonne National Laboratory - Advanced Photon Source; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; complex oxides; X-ray absoprtion spectroscopy; nickelates; metal to insulation transition
OSTI Identifier:
1360222
Alternate Identifier(s):
OSTI ID: 1247221

Freeland, John W., van Veenendaal, Michel, and Chakhalian, Jak. Evolution of electronic structure across the rare-earth RNiO3 series. United States: N. p., Web. doi:10.1016/j.elspec.2015.07.006.
Freeland, John W., van Veenendaal, Michel, & Chakhalian, Jak. Evolution of electronic structure across the rare-earth RNiO3 series. United States. doi:10.1016/j.elspec.2015.07.006.
Freeland, John W., van Veenendaal, Michel, and Chakhalian, Jak. 2015. "Evolution of electronic structure across the rare-earth RNiO3 series". United States. doi:10.1016/j.elspec.2015.07.006. https://www.osti.gov/servlets/purl/1360222.
@article{osti_1360222,
title = {Evolution of electronic structure across the rare-earth RNiO3 series},
author = {Freeland, John W. and van Veenendaal, Michel and Chakhalian, Jak},
abstractNote = {Here, the perovksite rare-earth nickelates, RNiO3 (R = La… Lu), are a class of materials displaying a rich phase-diagram of metallic and insulating phases associated with charge and magnetic order. Being in the charge transfer regime, Ni3+ in octahedral coordination displays a strong hybridization with oxygen to form 3d-2p mixed states, which results in a strong admixture of 3d8L_ into 3d7, where L_ denotes a hole on the oxygen. To understand the nature of this strongly hybridized ground state, we present a detailed study of the Ni and O electronic structure using high-resolution soft X-ray absorption spectroscopy (XAS). Through a comparison of the evolution of the XAS line-shape at Ni L- and O K-edges across the phase diagram, we explore the changes in the electronic signatures in connection with the insulating and metallic phases that support the idea of hybridization playing a fundamental role.},
doi = {10.1016/j.elspec.2015.07.006},
journal = {Journal of Electron Spectroscopy and Related Phenomena},
number = C,
volume = 208,
place = {United States},
year = {2015},
month = {7}
}