Related papers: The Charge Ordered State from Weak to Strong Coupl…
Using ab initio dynamical mean-field theory we explore the electronic and magnetic states of layered Li$_x$MnO$_2$ as a function of $x$, the state of charge. Constructing real-space Wannier projections of Kohn-Sham orbitals based on the…
In complex electronic materials, coupling between electrons and the atomic lattice gives rise to remarkable phenomena, including colossal magnetoresistance and metal-insulator transitions. Charge-ordered phases are a prototypical…
We consider the competition between the Kondo screening effect and ferromagnetic long-range order (FLRO) within a mean-field theory of the Kondo lattice model for low conduction electron densities $n_{c}$. Depending on the parameter values,…
Novel electronic order is found theoretically for a system where even number of localized electrons per site are coupled with conduction electrons. For precise quantitative study, a variant of the Kondo lattice model is taken with…
The interplay between lattice distortions and charge carriers governs the properties of many functional oxides. In alkali-doped LiMgPO4, a significant enhancement in dosimetric response is observed, but its microscopic origin is not…
We examine the various instabilities of quarter-filled strongly correlated electronic chains in the presence of a coupling to the underlying lattice. To mimic the physics of the (TMTTF)$_2$X Bechgaard-Fabre salts we also include…
Existing Quantum Monte Carlo studies have investigated the properties of fermions on a Lieb (CuO$_2$) lattice interacting with an on-site, or near-neighbor electron-electron coupling. Attention has focused on the interplay of such…
We report an infrared reflection spectroscopy study of La$_{1/2}$Ca$_{1/2}$MnO$_3$ over a broad frequency range and temperature interval which covers the transitions from the high temperature paramagnetic to ferromagnetic and, upon further…
We study correlated electron states in frustrated geometry of a triangular lattice. The interplay of long range interactions and finite residual entropy of a classical system gives rise to unusual effects in equilibrium ordering as well as…
A new variational approach is proposed at zero temperature for a finite density of charge carriers in order to study ground state features of the Frohlich model including electron-electron and electron-phonon interactions. Within the…
The structure and properties of the 1:1 superlattice of LaVO$_{3}$ and SrVO$_{3}$ are investigated with a first-principles density-functional-theory-plus-$U$ (DFT+$U$) method. The lowest energy states are antiferromagnetic charge-ordered…
A detailed understanding of the carrier dynamics and emission characteristics of organic-inorganic lead halide perovskites is critical for their optoelectronic and energy harvesting applications. In this work, we reveal the impact of the…
We investigate the quantum dynamics in a disordered electronic lattice with Fibonacci sequence of site energy and off-diagonal electron-phonon coupling within a sub-Ohmic bath by the time-dependent density matrix renormalization group…
We extend a recently introduced semiclassical approach to calculating the influence of local lattice fluctuations on electronic properties of metals and metallic molecular crystals. The effective action of electrons in degenerate orbital…
Charge ordering accompanied by lattice distortion in quasi-two dimensional organic conductors \theta-(ET)2X (ET=BEDT-TTF) is studied by using an extended Hubbard model with Peierls-type electron-lattice couplings within the Hartree-Fock…
Motivated by recent experimental evidence of charge order in the pseudogap phase of cuprates, we perform a variational analysis of charge-neutral, spin-singlet ordering in metals on the square lattice, using a wavefunction with double…
We study the zero-temperature properties of the Kondo lattice model within the dynamical mean-field theory. As impurity solver we use the numerical renormalization group. We present results for the paramagnetic case showing the anticipated…
Strongly correlated materials are characterized by the presence of electron-electron interactions in their electronic structure. They often have remarkable properties and transitions between competing phases of very different electronic and…
The Kondo lattice model plays a key role in our understanding of quantum materials, but a lack of small parameters has posed a long-standing problem. We present a 3 dimensional S= 1/2 Kondo lattice model describing a spin liquid within an…
Theoretical studies on charge ordering phenomena in quarter-filled molecular (organic) conductors are reviewed. Extended Hubbard models including not only the on-site but also the inter-site Coulomb repulsion are constructed in a…