Related papers: Phase separation in doped systems with spin-state …
Disorder on the active d element site is usually very disruptive for conduction and long range order in perovskite transition metal oxides. However, in the background of phase competition such `B site' dopants also act to promote one…
Doping dependence of the spin fluctuations and the electron correlations in the effective five-band Hubbard model for iron pnictides is investigated using the fluctuation-exchange approximation. For a moderate hole doping, we find a…
We study the electronic state of the doped Mott-Hubbard insulator within Dynamical Mean Field Theory. The evolution of the finite temperature spectral functions as a function of doping show large redistributions of spectral weight in both…
By paying attention to the hole-doped two-dimensional systems of antiferromagnetically (strongly) correlated electrons, we discuss the cause of hole-rich phase formation in association with phase separation. We show that the phase diagram…
Novel ground-state spin structures in undoped and lightly-doped manganites are here investigated based on the orbital-degenerate double-exchange model, by using mean-field and numerical techniques. In undoped manganites, a new…
We present Co substitution effects in K$_{x}$Fe$_{2-y-z}$Co$_{z}$Se$_{2}$ (0.06 $\leq$ $z$ $\leq$ 1.73) single crystal alloys. By 3.5\% of Co doping superconductivity is suppressed whereas phase separation of semiconducting…
The stripe phases found in correlated oxides can be viewed as an ordering of the solitons associated with doping the Mott-insulating state. Inspired by the recent observation that the stripes tilt away from the main axis of the crystal…
We study a hole-doped two-leg ladder system including metal ions, oxygen, and electron-lattice interaction, as a model for Sr_{14-x}Ca_xCu_{24}O_{41-\delta}. Single- and bi-polaronic states at 1/4-hole doping are modeled as functions of…
Silicene has been synthesized recently, with experimental evidence showing possible superconductivity in the doped case. The noncoplanar low-buckled structure of this material inspires us to study the pairing symmetry of the doped system…
Spin-crossover molecules having a low-spin ground state and a low-lying excited high-spin state are promising components for molecular electronics. We theoretically examine one-dimensional spin-crossover chain molecules of the type of Fe-II…
A fully ab initio scheme based on quantum chemical wavefunction methods is used to investigate the correlated multiorbital electronic structure of a 3d-metal compound, LaCoO3. The strong short-range electron correlations, involving both Co…
We investigate the magnetic instabilities of the two-dimensional model of interacting e_g electrons for hole doping away from two electrons per site in the mean-field approximation. In particular, we address the occurrence of orbitally…
High pressure can provoke spin transitions in transition metal-bearing compounds. These transitions are of high interest not only for fundamental physics and chemistry, but also may have important implications for geochemistry and…
One of the major puzzles in condensed matter physics has been the observation of a Mott-insulating state away from half-filling. The filling-controlled Mott insulator-metal transition, induced via charge-carrier doping, has been extensively…
Hybrid or metal organic framework (MOF) perovskites of general composition, ABX$_3$, are known to show interesting properties which can lead to variety of technological applications. Our first principles study shows they are also potential…
In underdoped cuprates fluctuations of the phase of the superconducting order parameter play a role due to the small superfluid density. We consider the effects of phase fluctuations assuming the exchange of spin fluctuations to be the…
We report Raman scattering spectra of iron-pnictide superconductor Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ single crystals with varying cobalt $x$ content. Upon cooling through the tetragonal-to-orthorhombic transition, we observe a large splitting…
Spin-manipulated doping with magnetic (Ni) and non-magnetic (Mg) dopants constitutes the experimental attempts to obtain a singlet ground state system from the linear chain Heisenberg antiferromagnetic Cu-based $d^{9}$ spin-1/2 trimer…
The microscopic description of the spin-Peierls transition in pure and doped CuGeO_3 is developed taking into account realistic details of crystal structure. It it shown that the presence of side-groups (here Ge) strongly influences…
Recently, the possibility of exploiting the phenomenon of spin transition (ST) has been intensively investigated, therefore, it is particularly important to study the behavior of ST under various stimuli. Here, the shape and content of the…