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

Horiuchi, S.; Shirakawa, T.; Ohta, Y.

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.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.classification	Konferenzschrift	ger
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	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