Electronic structure of Co2+ ions in anatase Co:TiO2 in relation to heterogeneity and structural defects

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Abstract

We have studied the electronic structure of Co ions in semiconducting anatase Co:TiO2(1.4 at.% Co) with x-ray-absorption spectroscopy. The density of structural defects is varied by (i) the oxygen vacancy concentration depending on the oxygen background pressure during growth, and (ii) the film thickness. TheCoL2,3-edge spectra, which are characteristic of Co2+ (3d7) ions, show particularly pronounced ligand-to-metal charge-transfer (CT) satellites for the thickest oxygen-poor films, which also exhibit the highest structural defect density. With charge-transfer multiplet calculations, the CT satellites are modeled by configuration interaction, originating from hybridization between Co 3d- and ligand states. This hybridization adds to the complex interplay between Co heterogeneity, defects, and electronic and magnetic properties in Co:TiO2.
Original languageUndefined
Pages (from-to)1344041-1344045
Number of pages5
JournalPhysical review B: Condensed matter and materials physics
Volume83
Issue number13
DOIs
Publication statusPublished - 5 Apr 2011

Keywords

  • IR-79117
  • EWI-21087

Cite this

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title = "Electronic structure of Co2+ ions in anatase Co:TiO2 in relation to heterogeneity and structural defects",
abstract = "We have studied the electronic structure of Co ions in semiconducting anatase Co:TiO2(1.4 at.{\%} Co) with x-ray-absorption spectroscopy. The density of structural defects is varied by (i) the oxygen vacancy concentration depending on the oxygen background pressure during growth, and (ii) the film thickness. TheCoL2,3-edge spectra, which are characteristic of Co2+ (3d7) ions, show particularly pronounced ligand-to-metal charge-transfer (CT) satellites for the thickest oxygen-poor films, which also exhibit the highest structural defect density. With charge-transfer multiplet calculations, the CT satellites are modeled by configuration interaction, originating from hybridization between Co 3d- and ligand states. This hybridization adds to the complex interplay between Co heterogeneity, defects, and electronic and magnetic properties in Co:TiO2.",
keywords = "IR-79117, EWI-21087",
author = "Y.J. Lee and {de Jong}, {Machiel Pieter} and {van der Wiel}, {Wilfred Gerard}",
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doi = "10.1103/PhysRevB.83.134404",
language = "Undefined",
volume = "83",
pages = "1344041--1344045",
journal = "Physical review B: Condensed matter and materials physics",
issn = "1098-0121",
publisher = "American Physical Society",
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Electronic structure of Co2+ ions in anatase Co:TiO2 in relation to heterogeneity and structural defects. / Lee, Y.J.; de Jong, Machiel Pieter; van der Wiel, Wilfred Gerard.

In: Physical review B: Condensed matter and materials physics, Vol. 83, No. 13, 05.04.2011, p. 1344041-1344045.

Research output: Contribution to journalArticleAcademicpeer-review

TY - JOUR

T1 - Electronic structure of Co2+ ions in anatase Co:TiO2 in relation to heterogeneity and structural defects

AU - Lee, Y.J.

AU - de Jong, Machiel Pieter

AU - van der Wiel, Wilfred Gerard

PY - 2011/4/5

Y1 - 2011/4/5

N2 - We have studied the electronic structure of Co ions in semiconducting anatase Co:TiO2(1.4 at.% Co) with x-ray-absorption spectroscopy. The density of structural defects is varied by (i) the oxygen vacancy concentration depending on the oxygen background pressure during growth, and (ii) the film thickness. TheCoL2,3-edge spectra, which are characteristic of Co2+ (3d7) ions, show particularly pronounced ligand-to-metal charge-transfer (CT) satellites for the thickest oxygen-poor films, which also exhibit the highest structural defect density. With charge-transfer multiplet calculations, the CT satellites are modeled by configuration interaction, originating from hybridization between Co 3d- and ligand states. This hybridization adds to the complex interplay between Co heterogeneity, defects, and electronic and magnetic properties in Co:TiO2.

AB - We have studied the electronic structure of Co ions in semiconducting anatase Co:TiO2(1.4 at.% Co) with x-ray-absorption spectroscopy. The density of structural defects is varied by (i) the oxygen vacancy concentration depending on the oxygen background pressure during growth, and (ii) the film thickness. TheCoL2,3-edge spectra, which are characteristic of Co2+ (3d7) ions, show particularly pronounced ligand-to-metal charge-transfer (CT) satellites for the thickest oxygen-poor films, which also exhibit the highest structural defect density. With charge-transfer multiplet calculations, the CT satellites are modeled by configuration interaction, originating from hybridization between Co 3d- and ligand states. This hybridization adds to the complex interplay between Co heterogeneity, defects, and electronic and magnetic properties in Co:TiO2.

KW - IR-79117

KW - EWI-21087

U2 - 10.1103/PhysRevB.83.134404

DO - 10.1103/PhysRevB.83.134404

M3 - Article

VL - 83

SP - 1344041

EP - 1344045

JO - Physical review B: Condensed matter and materials physics

JF - Physical review B: Condensed matter and materials physics

SN - 1098-0121

IS - 13

ER -