Journal article
Electronic structure of negative charge transfer CaFeO3 across the metal-insulator transition
Physical review materials, v 2(1)
30 Jan 2018
Abstract
We investigated themetal-insulator transition for epitaxial thin films of the perovskite CaFeO3, a material with a significant oxygen ligand hole contribution to its electronic structure. We find that biaxial tensile and compressive strain suppress the metal-insulator transition temperature. By combining hard x-ray photoelectron spectroscopy, soft x-ray absorption spectroscopy, and density functional calculations, we resolve the element-specific changes to the electronic structure across the metal-insulator transition. We demonstrate that the Fe sites undergo no observable spectroscopic change between themetallic and insulating states, whereas the Oelectronic configuration undergoes significant changes. This strongly supports the bond-disproportionation model of the metal-insulator transition for CaFeO3 and highlights the importance of ligand holes in its electronic structure. By sensitively measuring the ligand hole density, however, we find that it increases by similar to 5-10% in the insulating state, which we ascribe to a further localization of electron charge on the Fe sites. These results provide detailed insight into the metal-insulator transition of negative charge transfer compounds and should prove instructive for understanding metal-insulator transitions in other late transition metal compounds such as the nickelates.
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Details
- Title
- Electronic structure of negative charge transfer CaFeO3 across the metal-insulator transition
- Creators
- Paul C. Rogge - Drexel UniversityRavini U. Chandrasena - Temple UniversityAntonio Cammarata - Czech Technical University in PragueRobert J. Green - University of SaskatchewanPadraic Shafer - Lawrence Berkeley National LaboratoryBenjamin M. Lefler - Drexel UniversityAmanda Huon - Drexel UniversityArian Arab - Temple UniversityElke Arenholz - Lawrence Berkeley National LaboratoryHo Nyung Lee - Oak Ridge National LaboratoryTien-Lin Lee - Diamond Light SourceSlavomir Nemsak - Lawrence Berkeley National LaboratoryJames M. Rondinelli - Northwestern UniversityAlexander X. Gray - Temple UniversitySteven J. May - Drexel UniversityOak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Details
- Physical review materials, v 2(1)
- Publisher
- Amer Physical Soc
- Number of pages
- 8
- Grant note
- U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; United States Department of Energy (DOE) DMR-1729303 / National Science Foundation; National Science Foundation (NSF) NSERC; Natural Sciences and Engineering Research Council of Canada (NSERC) Western Economic Diversification Canada University of Saskatchewan Canadian Light Source W911NF-15-1-0133 / Army Research Office DE-AC02-05CH11231 / DOE Office of Science User Facility; United States Department of Energy (DOE) Government of Saskatchewan Canada Foundation for Innovation; CGIAR W911NF-15-1-0181 / U.S. Army Research Office National Research Council of Canada W911NF-14-1-0493 / Army Research Office DURIP Canadian Institutes of Health Research; Canadian Institutes of Health Research (CIHR)
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Materials Science and Engineering
- Web of Science ID
- WOS:000423527600003
- Scopus ID
- 2-s2.0-85051496560
- Other Identifier
- 991019167435104721
InCites Highlights
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- Collaboration types
- Domestic collaboration
- International collaboration
- Web of Science research areas
- Materials Science, Multidisciplinary