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Charge-Transfer Transitions and Optical Spectra of Vanadates. / Zenkov, A. V.
In: Physics of the Solid State, Vol. 47, No. 3, 451, 2005.

Research output: Contribution to journal › Article › peer-review

Harvard

Zenkov, AV 2005, 'Charge-Transfer Transitions and Optical Spectra of Vanadates', Physics of the Solid State, vol. 47, no. 3, 451. https://doi.org/10.1134/1.1884704

APA

Zenkov, A. V. (2005). Charge-Transfer Transitions and Optical Spectra of Vanadates. Physics of the Solid State, 47(3), [451]. https://doi.org/10.1134/1.1884704

Vancouver

Zenkov AV. Charge-Transfer Transitions and Optical Spectra of Vanadates. Physics of the Solid State. 2005;47(3):451. doi: 10.1134/1.1884704

Author

Zenkov, A. V. / Charge-Transfer Transitions and Optical Spectra of Vanadates. In: Physics of the Solid State. 2005 ; Vol. 47, No. 3.

BibTeX

@article{6f9ab25c31454122adb59648381eb0e4,
title = "Charge-Transfer Transitions and Optical Spectra of Vanadates",
abstract = "Specific features of the charge-transfer states and O2p → V3d transitions in the (VO6)9− octahedral complex are studied using the cluster approach. The reduced matrix elements of the electric-dipole transition operator are calculated for many-electron wave functions corresponding to the initial and final states of a charge-transfer transition. Using a parameterization of the results, the relative intensities of the allowed charge-transfer transitions are calculated disregarding the mixing of different configurations of the same symmetry. The Tanabe-Sugano theory is used with inclusion of this mixing to calculate the energies of many-electron charge-transfer transitions and their actual intensities. Modeling of the optical spectrum of LaVO3 reveals a complicated charge-transfer transition band consisting of 81 lines. The main maxima of the band are in the range 6.3–7.3 eV. There are also additional maxima in the regions of ≈3 and ≈8–9 eV. The bandwidth is ≈10 eV. The results of model calculations are in agreement with experiments and demonstrate the weakness of the widely used assumption that the spectrum of charge-transfer transitions has a simple structure.",
author = "Zenkov, {A. V.}",
note = "The author is grateful to A.S. Moskvin for discussions of the work. This work was supported by the Russian Foundation for Basic Research, project no 04-02-96068.",
year = "2005",
doi = "10.1134/1.1884704",
language = "English",
volume = "47",
journal = "Physics of the Solid State",
issn = "1063-7834",
publisher = "American Institute of Physics Publising LLC",
number = "3",

}

RIS

TY - JOUR

T1 - Charge-Transfer Transitions and Optical Spectra of Vanadates

AU - Zenkov, A. V.

N1 - The author is grateful to A.S. Moskvin for discussions of the work. This work was supported by the Russian Foundation for Basic Research, project no 04-02-96068.

PY - 2005

Y1 - 2005

N2 - Specific features of the charge-transfer states and O2p → V3d transitions in the (VO6)9− octahedral complex are studied using the cluster approach. The reduced matrix elements of the electric-dipole transition operator are calculated for many-electron wave functions corresponding to the initial and final states of a charge-transfer transition. Using a parameterization of the results, the relative intensities of the allowed charge-transfer transitions are calculated disregarding the mixing of different configurations of the same symmetry. The Tanabe-Sugano theory is used with inclusion of this mixing to calculate the energies of many-electron charge-transfer transitions and their actual intensities. Modeling of the optical spectrum of LaVO3 reveals a complicated charge-transfer transition band consisting of 81 lines. The main maxima of the band are in the range 6.3–7.3 eV. There are also additional maxima in the regions of ≈3 and ≈8–9 eV. The bandwidth is ≈10 eV. The results of model calculations are in agreement with experiments and demonstrate the weakness of the widely used assumption that the spectrum of charge-transfer transitions has a simple structure.

AB - Specific features of the charge-transfer states and O2p → V3d transitions in the (VO6)9− octahedral complex are studied using the cluster approach. The reduced matrix elements of the electric-dipole transition operator are calculated for many-electron wave functions corresponding to the initial and final states of a charge-transfer transition. Using a parameterization of the results, the relative intensities of the allowed charge-transfer transitions are calculated disregarding the mixing of different configurations of the same symmetry. The Tanabe-Sugano theory is used with inclusion of this mixing to calculate the energies of many-electron charge-transfer transitions and their actual intensities. Modeling of the optical spectrum of LaVO3 reveals a complicated charge-transfer transition band consisting of 81 lines. The main maxima of the band are in the range 6.3–7.3 eV. There are also additional maxima in the regions of ≈3 and ≈8–9 eV. The bandwidth is ≈10 eV. The results of model calculations are in agreement with experiments and demonstrate the weakness of the widely used assumption that the spectrum of charge-transfer transitions has a simple structure.

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U2 - 10.1134/1.1884704

DO - 10.1134/1.1884704

M3 - Article

VL - 47

JO - Physics of the Solid State

JF - Physics of the Solid State

SN - 1063-7834

IS - 3

M1 - 451

ER -

ID: 41348430