Theoretical study of the electronic states of hollandite vanadate K 2V8O16

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Horiuchi, S.; Shirakawa, T.; Ohta, Y.: Theoretical study of the electronic states of hollandite vanadate K 2V8O16. In: Journal of Physics: Conference Series 150 (2009), Nr. 4, 42182. DOI: https://doi.org/10.1088/1742-6596/150/4/042182

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Sum total of downloads: 94




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Abstract: 
Electronic states of hollandite vanadate K2V8O 16, a one-dimensional zigzag-chain system of t2g orbitals in a mixed valent state, are considered. We calculate the Madelung energies to determine the most stable charge-ordering pattern that is consistent with the observed superlattice structure. We then develop the strong-coupling perturbation theory to derive the effective spin-orbit Hamiltonian, starting from the triply-degenerate t2g orbitals in the VO6 octahedral structure. An exact-diagonalization technique is used on small clusters of this Hamiltonian to determine the orbital-ordering pattern and spin structures in the ground state. We thereby discuss the electronic and magnetic properties of K2 V8O16. © 2009 IOP Publishing Ltd.
License of this version: CC BY 3.0 Unported
Document Type: Article
Publishing status: publishedVersion
Issue Date: 2009
Appears in Collections:Fakultät für Mathematik und Physik

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pos. country downloads
total perc.
1 image of flag of Germany Germany 32 34.04%
2 image of flag of United States United States 30 31.91%
3 image of flag of China China 9 9.57%
4 image of flag of Japan Japan 5 5.32%
5 image of flag of Ireland Ireland 4 4.26%
6 image of flag of Saudi Arabia Saudi Arabia 2 2.13%
7 image of flag of India India 2 2.13%
8 image of flag of Peru Peru 1 1.06%
9 image of flag of Mexico Mexico 1 1.06%
10 image of flag of Latvia Latvia 1 1.06%
    other countries 7 7.45%

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