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

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dc.identifier.uri http://dx.doi.org/10.15488/1520
dc.identifier.uri http://www.repo.uni-hannover.de/handle/123456789/1545
dc.contributor.author Horiuchi, S.
dc.contributor.author Shirakawa, T.
dc.contributor.author Ohta, Y.
dc.date.accessioned 2017-05-11T07:53:38Z
dc.date.available 2017-05-11T07:53:38Z
dc.date.issued 2009
dc.identifier.citation 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
dc.description.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. eng
dc.description.sponsorship Ministry of Education, Culture, Sports, Science and Technology of Japan/18028008
dc.description.sponsorship Ministry of Education, Culture, Sports, Science and Technology of Japan/18043006
dc.description.sponsorship Ministry of Education, Culture, Sports, Science and Technology of Japan/185400338
dc.description.sponsorship Ministry of Education, Culture, Sports, Science and Technology of Japan/19014004
dc.description.sponsorship JSPS Research Fellowship for Young Scientists
dc.language.iso eng
dc.publisher Bristol : IOP Publishing Ltd.
dc.relation.ispartof 25th International Conference on Low Temperature Physics (LT25), August 6-13, 2008, Amsterdam, The Netherlands
dc.relation.ispartofseries Journal of Physics: Conference Series 150 (2009), Nr. 4
dc.rights CC BY 3.0 Unported
dc.rights.uri https://creativecommons.org/licenses/by/3.0/
dc.subject Chain systems eng
dc.subject Charge-ordering eng
dc.subject Diagonalization techniques eng
dc.subject Electronic and magnetic properties eng
dc.subject Hollandites eng
dc.subject Madelung energy eng
dc.subject Mixed-valent state eng
dc.subject Octahedral structures eng
dc.subject Orbital-ordering eng
dc.subject Orbitals eng
dc.subject Small clusters eng
dc.subject Spin orbits eng
dc.subject Spin structures eng
dc.subject Strong-coupling perturbation theories eng
dc.subject Super-lattice structures eng
dc.subject Theoretical study eng
dc.subject Chains eng
dc.subject Hamiltonians eng
dc.subject Magnetic properties eng
dc.subject Perturbation techniques eng
dc.subject Spin dynamics eng
dc.subject Electronic states eng
dc.subject.ddc 530 | Physik ger
dc.title Theoretical study of the electronic states of hollandite vanadate K 2V8O16 eng
dc.type article
dc.type conferenceObject
dc.type Text
dc.relation.issn 1742-6588
dc.relation.doi https://doi.org/10.1088/1742-6596/150/4/042182
dc.bibliographicCitation.issue 4
dc.bibliographicCitation.volume 150
dc.bibliographicCitation.firstPage 42182
dc.description.version publishedVersion
tib.accessRights frei zug�nglich


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