- Startseite
- →
- Fakultäten
- →
- Fakultät für Mathematik und Physik
- →
- Dokumentanzeige
JavaScript is disabled for your browser. Some features of this site may not work without it.
Originalpublikation
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
Version im Repositorium
Zum Zitieren der Version im Repositorium verwenden Sie bitte diesen DOI:
https://doi.org/10.15488/1520
| Zusammenfassung: | |
|
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.
|
|
| Lizenzbestimmungen: | CC BY 3.0 Unported - https://creativecommons.org/licenses/by/3.0/ |
| Publikationstyp: | Article |
| Publikationsstatus: | publishedVersion |
| Erstveröffentlichung: | 2009 |
| Schlagwörter (englisch): | Chain systems, Charge-ordering, Diagonalization techniques, Electronic and magnetic properties, Hollandites, Madelung energy, Mixed-valent state, Octahedral structures, Orbital-ordering, Orbitals, Small clusters, Spin orbits, Spin structures, Strong-coupling perturbation theories, Super-lattice structures, Theoretical study, Chains, Hamiltonians, Magnetic properties, Perturbation techniques, Spin dynamics, Electronic states |
| Fachliche Zuordnung (DDC): | 530 | Physik |
| Kontrollierte Schlagwörter: | Konferenzschrift |
Die Publikation erscheint in Sammlung(en):
-
Fakultät für Mathematik und Physik
Frei zugängliche Publikationen aus der Fakultät für Mathematik und Physik