相关论文: Structural distortion in Ludwigites

Using a motif-network search scheme, we studied the tetrahedral structures of the dilithium/disodium transition metal orthosilicates A2MSiO4 with A = Li or Na and M = Mn, Fe or Co. In addition to finding all previously reported structures,…

We theoretically study transport in two-dimensional semimetals. Typically, electron and hole puddles emerge in the transport layer of these systems due to smooth fluctuations in the potential. We calculate the electric response of the…

We study electronic transport properties of disordered polymers in the presence of both uncorrelated and short-range correlated impurities. In our procedure, the actual physical potential acting upon the electrons is replaced by a set of…

We study singularly perturbed linear systems of rank two of ordinary differential equations of the form $\hbar x\partial_x \psi (x, \hbar) + A (x, \hbar) \psi (x, \hbar) = 0$, with a regular singularity at $x = 0$, and with a fixed…

The functional properties of transition metal perovskite oxides are known to result from a complex interplay of magnetism, polarization, strain, and stoichiometry. Here, we show that for materials with a cooperative Jahn-Teller distortion,…

This work reports the structural instability at T=0 K of the U2Mo compound in the structure C11b under the distortion related to the C66 elastic constant. The electronic properties of U2Mo such density of states (DOS), bands and Fermi…

The influence of randomly distributed point impurities \emph{and} planar defects on the order and transport in type-II superconductors and related systems is considered theoretically. For planar defects of identical orientation the flux…

There are two interpretations offered for the different structural and magnetic properties of the mixed valence homo-metallic ludwigites, Co3O2BO3 and Fe3O2BO3. One of them associates the physical behavior to charge ordering processes among…

We examine the structural properties of free standing II-VI and III-V semiconductors at the monolayer limit within first principle density functional theory calculations. A non-polar buckled structure was found to be favoured over a polar…

We present a systematic ab initio study based on density-functional calculations to understand impurity effects in iron-based superconductors. Effective tight-binding Hamiltonians for the d-bands of LaFeAsO with various transition-metal…

Structural phase transition studies employing low-temperature transmission electron microscopy, and low-temperature x-ray diffraction have been carried out on nearly stoichiometric ({\delta}=0.01) and off-stoichiometric ({\delta}=0.12)…

We consider 2D gas of spinless fermions with the Coulomb and the short range interactions on a square lattice at T=0. Using exact diagonalization technique we study finite clusters up to 16 particles at filling factors $\nu=1/2$ and 1/6. By…

Impurities in crystalline materials introduce disorder into an otherwise ordered structure due to the formation of lattice defects and grain boundaries. The properties of the resulting polycrystal can differ remarkably from those of the…

A periodic lattice distortion that reduces the translational symmetry folds electron bands into a reduced Brillouin zone, leading to band mixing and a tendency to gap formation, as in the Peierls transition in one-dimensional systems.…

We study the presence of impurity bound states within a five-band Hubbard model relevant to iron-based superconductors. In agreement with earlier studies, we find that in the absence of Coulomb correlations there exists a range of repulsive…

Extending earlier work on a vibronic theory of the FA centers in alkali halides, the reorientation is now considered of an off-center Li+ impurity, either isolated or near an F center. We derive analytically periodic potential energy…

Motivated by the unusual features observed in the transport properties of the ferromagnetic "bad metal" $SrRuO_{3}$, we construct a model incorporating essential features of the realistic structure of this nearly cubic material. In…

We discuss the appearance of magnetic and charge instabilities, named respectively metamagnetism (MM) and phase separation (PS), in systems which can be described by a perturbed Luttinger liquid. We argue that such instabilities can be…

Recently topological superconducting states has attracted a lot of interest. In this work, we consider a topo- logical superconductor with $Z_2$ topological mirror order [1] and s$\pm$-wave superconducting pairing symmetry, within a…

A hypothetical layered oxide La_2NiMO_6 where NiO_2 and MO_2 planes alternate along the c-axis of ABO_3 perovskite lattice is considered theoretically. Here, M denotes a trivalent cation Al, Ga,... such that MO_2 planes are insulating and…