Related papers: Multi-orbital physics in lithium-molybdenum purple…
Molybdenum purple bronze Li$_{0.9}$Mo$_{6}$O$_{17}$ is an exceptional material known to exhibit one dimensional (1D) properties for energies down to a few meV. This fact seems to be well established both in experiments and in band structure…
The band structures of ordered and thermally disordered Li$_2$Mo$_{12}$O$_{34}$ are calculated by use of ab-initio DFT-LMTO method. The unusual, very 1-dimensional band dispersion obtained in previous band calculations is confirmed for the…
At ambient pressure, lithium molybdenum purple bronze (Li0.9Mo6O17) is a quasi-one dimensional solid in which the anisotropic crystal structure and the linear dispersion of the underlying bands produced by electronic correlations possibly…
Temperature dependent photoemission spectroscopy in Li0.9Mo6O17 contributes to evidence for one dimensional physics that is unusually robust. Three generic characteristics of the Luttinger liquid are observed, power law behavior of the…
We investigate the electronic structure of the strongly anisotropic, quasi low dimensional purple bronze Li0.9Mo6O17. Building on all-electron ab-initio band structure calculations we obtain an effective model in terms of four maximally…
We report a comparative study of the specific heat, electrical resistivity and thermal conductivity of the quasi-two-dimensional purple bronzes Na$_{0.9}$Mo$_6$O$_{17}$ and K$_{0.9}$Mo$_6$O$_{17}$, with special emphasis on the behavior near…
I review many-body effects on the resistivity of a multiorbital system beyond Landau's Fermi-liquid (FL) theory. Landau's FL theory succeeds in describing electronic properties of some correlated electron systems at low temperatures.…
We report inelastic light scattering measurements of lattice dynamics related to the incommensurate orbital order in $\mathrm{CaMn_7O_{12}}$. Below the ordering temperature $T_\mathrm{o} \approx 250 \,\mathrm{K}$, we observe extra phonon…
The band structures of ordered and thermally disordered Li$_2$Mo$_{12}$O$_{34}$ are calculated by use of ab-initio DFT-LMTO method with focus on the behavior of the Mo 3d-core levels. It is shown that thermal disorder and zero-point motion…
Spin fluctuation in LiV2O4 is revisited by examining the earlier result of muon spin rotation/ relaxation measurements. Instead of a relationship for the localized electron limit, one for itinerant electron systems between muon…
In this set of three papers, we present the results of a combined study by density-functional (LDA) band theory (NMTO) and angle-resolved photoemission spectroscopy (ARPES) of lithium purple bronze, 2(Li$_{1x}$Mo$_{6}$O$_{17}$). This…
We study the problem of underscreened Kondo physics in an interacting electronic system modeled by a Luttiger Liquid (LL). We find that the leading temperature dependence of thermodynamical quantities like the specific heat, spin…
The effects of electronic correlations and orbital degeneracy on thermoelectric properties are studied within the context of multi-orbital Hubbard models on different lattices. We use dynamical mean field theory with iterative perturbation…
Lithium transition metal phospho-olivines are useful electrode materials, owing to their stability, high safety, low cost and cyclability. We report phonon studies using neutron inelastic scattering experiments, ab-initio density functional…
Macro-orbital representation of a particle (detailed account given in cond-mat/0603784) has been used to develop the microscopic theory of a system of interacting bosons. It concludes that: (i) below certain temperature (say,…
The 3d electron spinel compound LiV2O4 exhibits heavy fermion behaviour below 30K which is related to antiferromagnetic spin fluctuations strongly enhanced in an extended region of momentum space. This mechanism explains enhanced…
The interplay of spin-orbit-coupling and strong electronic correlations is studied for the single-layer and the bilayer compound of the strontium ruthenate Ruddlesden-Popper series by a combination of first-principles band-structure theory…
Orbital magnetism is a purely quantum phenomenon that reflects intrinsic electronic properties of solids, yet its microscopic description in interacting multiband systems remains incomplete. We develop a general quantum many-body framework…
We use variable-temperature x-ray thermal diffuse scattering and inelastic scattering to investigate the lattice dynamics in single crystals of multiferroic CaMn7O12 which undergo a series of orbital and magnetic transitions at low…
LiFePO$_4$ (LFPO) is an archetypical and well-known cathode material for rechargeable Li-ion batteries. However, its quasi-one-dimensional (Q1D) structure along with the Fe ions, LFPO also displays interesting low-temperature magnetic…