Related papers: Rung-singlet charge-ordering in alpha'-NaV2O5
We present our theoretical results on the mechanism of two transitions in vanadium spinel oxides $A$V$_2$O$_4$ ($A$=Zn, Mg, or Cd) in which magnetic V cations constitute a geometrically-frustrated pyrochlore structure. We have derived an…
The semiconductor-semiconductor transition of La2RuO5 is studied by means of augmented spherical wave (ASW) electronic structure calculations as based on density functional theory and the local density approximation. This transition has…
We present results of high-resolution thermal-expansion and specific-heat measurements on single crystalline alpha'-NaV2O5. We find clear evidence for two almost degenerate phase transitions associated with the formation of the dimerized…
Charge disproportionation (CD) and spin differentiation in Na$_{1/2}$CoO$_2$ are studied using the correlated band theory approach. The simultaneous CD and gap opening seen previously is followed through a first order charge…
For La_(1 2/3)Sr_(1/3)NiO_4 -- a commensurately doped Mott-Hubbard system -- charge- and spin-ordering in a stripe phase has been investigated by phononic and magnetic Raman scattering. Formation of a superlattice and an opening of a…
This response on a Comment on Reference 2 discusses the space group Fmm2 determination of the low temperature structure of NaV2O5. We show that while conventional crystallography is consistent with 'zig-zag' charge ordering of half of the…
Dielectric and magnetic phenomena in spin and charge frustrated system RFe2O4 (R is a rare-earth metal ion) are studied. An electronic model for charge, spin and orbital degrees in a pair of triangular-lattice planes is derived. We analyze…
We study a novel S=1/2 cluster chain Hamiltonian which has recently been proposed in the context of the charge ordered low-temperature phase of alpha'-NaV2O5. We perform a detailed investigation of this model within a large range of…
The nature of electronic states due to strong correlation and geometric frustration on the triangular lattice is investigated in connection to the unconventional insulating state of Na$_x$CoO$_2$ at $x=0.5$. We study an extended Hubbard…
Based on recent experimental evidences that the electronic charge degrees of freedom plays an essential role in the spin-Peierls--like phase transition of NaV$_2$O$_5$, we first make the mapping of low-energy electronic states of the…
Using spectral ellipsometry, we have measured the dielectric function of a Na$_{0.82(2)}$CoO$_2$ crystal that exhibits bulk antiferromagnetism with T$_{N}$=19.8 K. We identify two prominent transitions as a function of temperature. The…
Akali superoxides AO2 (A=Na, K, Rb, Cs), due to an open p shell of the oxygen ion O2^- with degenerate pi orbitals, have spin and orbital degrees of freedom. The complex magnetic, orbital, and structural phase transitions observed…
Mixed valence spinels provide a fertile playground for the interplay between charge, spin, and orbital degrees of freedom in strongly correlated electrons on a geometrically frustrated lattice. Among them, AlV$_2$O$_4$ and LiV$_2$O$_4$…
A theory of superexchange in the mixed valent layer compound NaV2O5 is presented which provides a consistent description of exchange both in the disordered and charge ordered state. Starting from results of band structure calculations for…
Raman scattering in the quarter-filled spin ladder system alpha'-NaV_2O_5 shows in the dimerized singlet ground state ($T \leq T_{SP}=35K$) an unexpected sequence of three magnetic bound states. Our results suggest that the recently…
The strength and effect of Coulomb correlations in the (superconducting when hydrated) x~1/3 regime of Na(x)CoO(2) have been evaluated using the correlated band theory LDA+U method. Our results, neglecting quantum fluctuations, are: (1)…
We present the measurements of the polarized optical spectra of NaV2O5 and LiV2O5. In an energy range from 0.5 to 5.5 eV we observe similar peaks in the E parallel a spectra of LiV2O5 and NaV2O5, which suggests similar electronic structure…
We have investigated electronic structures of antiferromagnetic YBaCo_2O_5 using the local spin-density approximation (LSDA) + U method. The charge and orbital ordered insulating ground state is correctly obtained with the strong on-site…
Motivated by recent experimental suggestions of charge-order-driven ferroelectricity in organic charge-transfer salts, such as $\kappa$-(BEDT-TTF)$_2$Cu[N(CN)$_2$]Cl, we investigate magnetic and charge-ordered phases that emerge in an…
Motivated by the co-existing charge and spin order found in strongly correlated ladder systems, we study an effective pseudospin model on a coupled two-leg ladder. A bosonisation analysis yields a rich phase diagram showing Wigner/Peierls…