Related papers: Phase separation in doped systems with spin-state …
The electronic structure of the perovskite La$_{1-x}$Sr$_x$CoO$_3$ has been obtained as a function of Sr substitution and volume from a series of generalized-gradient-corrected, full-potential, spin-density-functional band structure…
The spin dynamics in single crystal, electron-doped Ba(Fe1-xCox)2As2 has been investigated by inelastic neutron scattering over the full range from undoped to the overdoped regime. We observe damped magnetic fluctuations in the normal state…
We study theoretically the phase diagram of perovskite manganites taking into account the double degeneracy of the $e_g$ orbitals in a $Mn^{3+}$ ion. A rich phase diagram is obtained in the mean field theory at zero temperature as functions…
We obtain and analyze the phase diagram of doped iron-pnictides under the assumption that doping adds non-magnetic impurities to the system but does not change the densities of carriers. We show that the phase diagram is quite similar to…
Inspired by the Nagaoka ferromagnetism, we propose an itinerant model to study the transition between the Mott singlet state and a ferromagnetic state by emulating a doping process in finite lattices. In the Nagaoka ferromagnetism, the…
We show that in transition metal compounds containing structural metal dimers there may exist in the presence of different orbitals a special state with partial formation of singlets by electrons on one orbital, while others are effectively…
We present large-scale dynamical simulations of electronic phase separation in the single-band double-exchange model based on deep-learning neural-network potentials trained from small-size exact diagonalization solutions. We uncover an…
We propose a unified magnetic phase diagram of cuprate superconductors. A new feature of this phase diagram is a broad intermediate doping region of quantum-critical, $z=1$, behavior, characterized by temperature independent $T_1T/T_{\rm…
We consider low temperature transport through a lateral quantum dot asymmetrically coupled to two conducting leads, and tuned to the mixed-valence region separating two adjacent Coulomb blockade valleys with spin S=1/2 and S=1 on the dot.…
Based on the first-principles electronic structure calculations, we investigate the magnetic and electronic properties of transition-metal-doped Pb$_{10}$(PO$_4$)$_6$O with the Pb atom substituted by various transition metals. The $3d$…
We conclude from the analysis of the experimental NMR data for electron-doped cuprates that the Coulomb effects caused by doping lead to dynamical spatial phase separation that contributes to the nuclear spin relaxation. Remarkable, the…
In the manganites $RE_{1-x}AE_{x}$MnO$_{3}$ ($RE$ and $AE$ being rare-earth and alkaline-earth elements, respectively) the random distribution of $RE^{3+}$ and $AE^{2+}$ induces random, but correlated, shifts of site energies of charge…
We propose that a specific spatial configuration of lattice sites that energetically favor {\it 3+} or {\it 4+} Mn ions in moderately doped manganites constitutes approximately a spatially random two-energy-level system. Such an effect…
We use a random gap model to describe a metal-insulator transition in three-dimensional semiconductors due to doping and find a conventional phase transition, where the effective scattering rate is the order parameter. Spontaneous symmetry…
Motivated by recent neutron scattering experiments, we study the ordering of spins in the iron-based superconductors La(O_{1-x}F_x)FeAs, assuming them in proximity to a Mott insulator in the phase diagram. The ground state of the parent…
It is investigated theoretically that magnetized Bose-Einstein condensation (BEC) with the internal (spin) degrees of freedom exhibits a rich variety of phase transitions, depending on the sign of the interaction in the spin channel. In the…
We study the thermally driven spin state transition in a two-orbital Hubbard model with crystal field splitting, which provides a minimal description of the physics of LaCoO3. We employ the dynamical mean-field theory with quantum…
Band calculations for the hole doped La$_2$CuO$_4$ system show that artificial periodicities of Ba dopants can give the material different properties than from a uniform distribution of dopants. A periodicity within the planes make static…
Motivated by the commonplace observation of Mott insulators away from integer filling, we construct a simple thermodynamic argument for phase separation in first-order doping-driven Mott transitions. We show how to compute the critical…
We investigate the currently debated issue concerning whether transition metal substitutions dope carriers in iron based superconductors. From first-principles calculations of the configuration-averaged spectral function of BaFe$_2$As$_2$…