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| 001 | 859717 | ||
| 005 | 20210130000353.0 | ||
| 024 | 7 | _ | |a 10.1103/PhysRevMaterials.2.015002 |2 doi |
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| 037 | _ | _ | |a FZJ-2019-00554 |
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| 100 | 1 | _ | |a Rogge, Paul C. |0 P:(DE-HGF)0 |b 0 |
| 245 | _ | _ | |a Electronic structure of negative charge transfer CaFeO 3 across the metal-insulator transition |
| 260 | _ | _ | |a College Park, MD |c 2018 |b APS |
| 336 | 7 | _ | |a article |2 DRIVER |
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| 520 | _ | _ | |a We investigated the metal-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 the metallic and insulating states, whereas the O electronic 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. |
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| 700 | 1 | _ | |a Chandrasena, Ravini U. |0 P:(DE-HGF)0 |b 1 |
| 700 | 1 | _ | |a Cammarata, Antonio |0 P:(DE-HGF)0 |b 2 |
| 700 | 1 | _ | |a Green, Robert J. |0 P:(DE-HGF)0 |b 3 |
| 700 | 1 | _ | |a Shafer, Padraic |0 P:(DE-HGF)0 |b 4 |
| 700 | 1 | _ | |a Lefler, Benjamin M. |0 P:(DE-HGF)0 |b 5 |
| 700 | 1 | _ | |a Huon, Amanda |0 P:(DE-HGF)0 |b 6 |
| 700 | 1 | _ | |a Arab, Arian |0 P:(DE-HGF)0 |b 7 |
| 700 | 1 | _ | |a Arenholz, Elke |0 P:(DE-HGF)0 |b 8 |
| 700 | 1 | _ | |a Lee, Ho Nyung |0 P:(DE-HGF)0 |b 9 |
| 700 | 1 | _ | |a Lee, Tien-Lin |0 P:(DE-HGF)0 |b 10 |
| 700 | 1 | _ | |a Nemsak, Slavomir |0 P:(DE-Juel1)164137 |b 11 |e Corresponding author |
| 700 | 1 | _ | |a Rondinelli, James M. |0 P:(DE-HGF)0 |b 12 |
| 700 | 1 | _ | |a Gray, Alexander X. |0 P:(DE-HGF)0 |b 13 |
| 700 | 1 | _ | |a May, Steven J. |0 P:(DE-HGF)0 |b 14 |e Corresponding author |
| 773 | _ | _ | |a 10.1103/PhysRevMaterials.2.015002 |g Vol. 2, no. 1, p. 015002 |0 PERI:(DE-600)2898355-5 |n 1 |p 015002 |t Physical review materials |v 2 |y 2018 |x 2475-9953 |
| 856 | 4 | _ | |y OpenAccess |u https://juser.fz-juelich.de/record/859717/files/PhysRevMaterials.2.015002.pdf |
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