Abstract
We consider electronic properties of hollandite vanadate ${\mathrm{K}}_{2}{\mathrm{V}}_{8}{\mathrm{O}}_{16}$, a one-dimensional zigzag-chain system of ${t}_{2g}$ orbitals in a mixed valent state. We first calculate the Madelung energy and obtain the relative stability of several charge-ordering patterns to determine the most stable one 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 ${t}_{2g}$ orbitals in the $\mathrm{V}{\mathrm{O}}_{6}$ octahedral structure. We apply an exact-diagonalization technique on small clusters of this Hamiltonian and obtain the orbital-ordering pattern and spin structures in the ground state. We thereby discuss the electronic and magnetic properties of ${\mathrm{K}}_{2}{\mathrm{V}}_{8}{\mathrm{O}}_{16}$, including predictions on the outcome of future experimental studies.
Highlights
This content has been downloaded from IOPscience
You may be interested in: Oxidization/Reduction Process of Prussian Blue Film as Investigated by Valence-Differential Spectroscopy Yutaro Kurihara, Hayato Kamioka, Fumiya Nakada et al Roles of Electron Hopping on Orbital Ordering for Vanadium Spinels Huang Yuan-Jie and Zhang Yu-Heng Magnetic interactions and orbital state in double chain systems investigated by NMR measurements Masayuki Itoh, Hikaru Takeda, Yasuhiro Shimizu et al Anomalous electronic states of hollandite-type transition-metal oxides Y Ohta, T Toriyama, M Sakamaki et al Magnetic, structural, and thermal properties of CoV2O4 Yuanjie Huang, Zhaorong Yang and Yuheng Zhang Ac susceptibility and 51V NMR study of MnV2O4 S-H Baek, K-Y Choi, A P Reyes et al
Ù ØÙ Ø Ò ÐÓ Ð 1×Ô Ò ÐÙ×Ø Ö× ÓÖ Ø ×Ø Ø Ó Ø ÐÓ Ð ×Ô Ò1× Ò Ð Ø× Ó ØÛÓ × 1⁄2 3⁄4 ×Ô Ò×
Summary
This content has been downloaded from IOPscience. Please scroll down to see the full text. 2009 J. Ë ÀÓÖ Ù 1⁄2 ̧ Ì Ë Ö Û 1⁄2 3⁄4 Ò Ç Ø 1⁄2 1⁄2 Ô ÖØÑ ÒØ Ó È Ý× × ̧ ÍÒ Ú Ö× ØÝ 3⁄4 ¿1 3⁄43⁄4 ̧ Â Ô Ò 3⁄4 ÁÒ×Ø ØÙØ ÙÖ Ì ÓÖ Ø × È Ý× ̧ Ä Ò ØÞ ÍÒ Ú Ö× Ø Ø À ÒÒÓÚ Ö 1¿1⁄41⁄2 À ÒÒÓÚ Ö
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.