Electronic structure of negative charge transfer CaFeO3 across the metal-insulator transition
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F18%3A00318260" target="_blank" >RIV/68407700:21230/18:00318260 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1103/PhysRevMaterials.2.015002" target="_blank" >http://dx.doi.org/10.1103/PhysRevMaterials.2.015002</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevMaterials.2.015002" target="_blank" >10.1103/PhysRevMaterials.2.015002</a>
Alternative languages
Result language
angličtina
Original language name
Electronic structure of negative charge transfer CaFeO3 across the metal-insulator transition
Original language description
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 theOelectronic 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 ~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.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review Materials 2
ISSN
2476-0455
e-ISSN
2475-9953
Volume of the periodical
2
Issue of the periodical within the volume
1
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
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UT code for WoS article
000423527600003
EID of the result in the Scopus database
2-s2.0-85051496560