Related papers: Is the orbital-selective Mott phase stable against…
We study the effects of electron-electron interactions and hole doping on the electronic structure of Cu-doped NaFeAs using the density functional theory plus dynamical mean-field theory (DFT+DMFT) method. In particular, we employ an…
Orbital Kondo effect is treated in a model, where additional to the conduction band there are localized orbitals close to the Fermi energy. If the hopping between the conduction band and the localized heavy orbitals depends on the…
We analyze multi-orbital Hubbard models describing Hund's metals, focusing on the ubiquitous occurrence of a charge instability, signalled by a divergent/negative electronic compressibility, in a range of doping from the half-filled Mott…
We propose a hybrid approach which employs the dynamical mean-field theory (DMFT) self-energy for the correlated, typically rather localized orbitals and a conventional density functional theory (DFT) exchange-correlation potential for the…
The possibility of "orbitally selective Mott transitions" within a multiband Hubbard model, in which one orbital with large on-site electron-electron repulsion $U_1$ is insulating and another orbital, to which it is hybridized, with small…
We investigate the metal-to-insulator phase transition driven by the density-density electronic interaction in the quarter-filled model on a cubic lattice with two orbitals split by a crystal field. We show that a systematic consideration…
We study analytically the Mott transition of the N-orbital Hubbard model using dynamical mean-field theory and a low-energy projection onto an effective Kondo model. It is demonstrated that the critical interaction at which the insulator…
We apply the dynamical mean field theory (DMFT) in the iterative perturbation theory(IPT) to doubly degenerate eg bands and triply degenerate tg bands on a simple cubic lattice and calculate the spectrum and optical conductivity in…
The observation of spin-dependent transport through organic chiral structures has sparked numerous fundamental and applicative questions ranging from biology to spintronics. By now, there is a broad consensus that the effect results from…
Molybdenum disulfide is a novel two-dimensional semiconductor with potential applications in electronic and optoelectronic devices. However, the nature of charge transport in back-gated devices still remains elusive as they show much lower…
Motivated by recent experiments on vanadium spinels, $A$V$_2$O$_4$, that show an increasing degree of electronic delocalization for smaller cation sizes, we study the evolution of orbital ordering (OO) between the strong and…
The concept of the entanglement between spin and orbital degrees of freedom plays a crucial role in understanding various phases and exotic ground states in a broad class of materials, including orbitally ordered materials and spin liquids.…
The Mott transition is a paradigmatic phenomenon where Coulomb interactions between electrons drive a metal-insulator phase transition. It is extensively studied within the Hubbard model, where a quantum critical transition occurs at a…
We investigate the metal-insulator Mott transition in a generalized version of the periodic Anderson model, in which a band of itinerant electrons is hybridrized with a narrow and strongly correlated band. Using dynamical mean-field theory,…
We investigate effects of Coulomb interaction and hopping transport in the insulator phase of granular metals and quantum dot arrays. We consider a spatially periodic as well as an irregular array, including disorder in a form of a random…
We have studied the doping-driven orbital-selective Mott transition in multi-band Hubbard models with equal band width in the presence of crystal field splitting. Crystal field splitting lifts one of the bands while leaving the others…
We thoroughly analyze the divergences of the irreducible vertex functions occurring in the charge channel of the half-filled Hubbard model in close proximity to the Mott metal-insulator transition (MIT). In particular, by systematically…
We present a dynamical mean-field theory (DMFT) study of the charge and orbital correlations in finite-size La$_{0.5}$Ca$_{0.5}$MnO$_3$ (LCMO) nanoclusters. Upon nanostructuring LCMO to clusters of 3 nm diameter, the size reduction induces…
An approach is proposed for evaluating dipolar and multipolar inter-site interactions in strongly correlated materials. This approach is based on the single-site dynamical mean-field theory (DMFT) in conjunction with the atomic…
Compact objects evolving in an astrophysical environment experience a gravitational drag force known as dynamical friction. We present a multipole-frequency decomposition to evaluate the orbit-averaged energy and angular momentum…