Related papers: Charge Order from Orbital-dependent Coupling Evide…
Electronic charges introduced in copper-oxide planes generate high-transition temperature superconductivity but, under special circumstances, they can also order into filaments called stripes. Whether an underlying tendency of charges to…
Trirutile-type LiFe$_2$F$_6$ is a charge-ordered material with Fe$^{2+}$/Fe$^{3+}$ configuration. Here its physical properties, including magnetism, electronic structure, phase transition, and charge ordering, are studied theoretically. On…
We present specific-heat and neutron-scattering results for the \emph{S}=1/2 quantum antiferromagnet (dimethylammonium)(3,5-dimethylpyridinium)CuBr$_4$. The material orders magnetically at \emph{T}$_N$=1.99(2)\,K, and magnetic excitations…
The isoelectronic series of Be, Ne and Si are investigated using a variational determination of the second-order density matrix. A semidefinite program was developed that exploits all rotational and spin symmetries in the atomic system. We…
We study the symmetry-broken phases in two- and three-orbital Hubbard models with lifted orbital degeneracy using dynamical mean field theory. On the technical level, we explain how symmetry relations can be exploited to measure the…
We develop a gauge-independent perturbation theory for the grand potential of itinerant electrons in two-dimensional tight-binding models in the presence of a perpendicular magnetic field. At first order in the field, we recover the result…
Recent state-of-the-art crystallographic investigations of transition metal spinel compounds have revealed that the d- orbital charge carriers undergo ordering transitions with the formation of local "molecular bonding" units such as dimers…
Oxide superlattices represent a potent avenue for tailoring emergent electronic phases through sophisticated interfacial charge transfer and dynamic lattice distortions. This study systematically investigates the structural and electronic…
Metal-insulator transition accompanied by charge-ordering has been widely investigated in quasi-one-dimensional conductors, including in particular organic charge-transfer solids. Among such materials the 1/4-filled band charge-transfer…
Charge-ordered ground states permeate the phenomenology of 3d-based transition metal oxides, and more generally represent a distinctive hallmark of strongly-correlated states of matter. The recent discovery of charge order in various…
The emergence of nematic electronic states accompanied by a structural phase transition is a recurring theme in many correlated electron materials, including the high-temperature copper oxide- and iron-based superconductors. We provide…
We study the magnetic and electronic properties of Ni-intercalated NbSe$_2$.We calculate the magnetic exchanges of Ni$_x$NbSe$_2$ ($x = 1/3, 1/4,$ and $1$) and find that the out-of-plane magnetic coupling depends on the Ni connectivity: it…
The structure of the electronic nonlinear optical conductivity is elucidated in a detailed study of the time-reversal symmetric two-band model. The nonlinear conductivity is decomposed as a sum of contributions related with different…
Understanding the driving mechanisms behind metal-insulator transitions (MITs) is a critical step towards controlling material's properties. Since the proposal of charge-order-induced MIT in magnetite Fe3O4 in 1939 by Verwey, the nature of…
The recent observation of an inflection point in the temperature dependence of the in-plane magnetic field dependence (lambda_ab) is investigated within a two-band model with coupled order parameters of different symmetries. While the…
We study the phase diagrams and thermodynamic properties of a system of coexisting itinerant electrons and local pairs (LP), in the presence of diagonal disorder. The model considered takes into account both the charge exchange couplings,…
Transition metal dichalcogenides like 2H-NbSe2 in their two-dimensional (2D) form exhibit Ising superconductivity with the quasiparticle spins are firmly pinned in the direction perpendicular to the basal plane. This enables them to…
We study theoretically competition between the charge ordering and the superconductivity in two-dimensional organic conductor beta-(meso-DMBEDT-TTF)_2PF_6. We analyze the extended Hubbard model on a weakly-dimerized lattice based on the…
Based on the refined crystal structure comprised of columns of 3*4 planar blocks of NbO6 octahedra and first principles electronic structure methods, we find that orthorhombic (o)-Nb$_{12}$O$_{29}$ introduces a new class of transition metal…
We investigate the influence of general forms of disorder on the robustness of superconductivity in multiband materials. Specifically, we consider a general two-band system where the bands arise from an orbital degree of freedom of the…