The electronic properties of paramagnetic V2O3 are investigated by the computational scheme LDA+DMFT(QMC). This approach merges the local density approximation (LDA) with dynamical mean-field theory (DMFT) and uses quantum Monte Carlo simulations (QMC) to solve the effective Anderson impurity model of DMFT. Starting with the crystal structure of metallic V2O3 and insulating (V0.962Cr0.038)2O3 w...

We report electron paramagnetic resonance measurements on BaTiO3, containing a dilute impurity of Fe , in its ferroelectric phase over a range of pressure and temperature near the paraelectric-ferroelectric phase transition line. We have developed an algorithm to analyze the data, allowing us to determine the values of the crystal field parameters and their temperature and pressure dependence r...

Recent reports have suggested that the nuclear resonant absorption of a long-lived Mossbauer state e.g., (93m)Nb is mediated by an entangled photon pair (biphoton) rather than by a single photon. Multipolar nuclear excitation in crystals of a single isotope with a natural abundance of 100% spreads in a region containing billions of identical nuclei. As a consequence of the delocalisation, addit...

An effective way to examine structural rearrangement in solids is Mössbauer spectroscopy. A key requirement probes used for these purposes the possibility of their localization a certain site crystal lattice or network amorphous material. When absorption spectroscopy local structure crystalline and Ge2Sb2Te5 films, this satisfied 119Sn isotope. Tin atoms isovalently substitute germanium both vi...

We consider a strongly correlated ladder with diagonal hopping and exchange interactions described by t − J type hamiltonian. We study the dynamics of a single hole in this model in the presence of a static non-magnetic (or magnetic) impurity. In the case of a non-magnetic (NM) impurity we solve the problem analytically both in the triplet (S=1) and singlet (S=0) sectors. In the triplet sector ...

The temperature dependence of the static electrical conductivity sigma dc (T) a single crystal lanthanum gallium silicate (langasite) La 3 Ga 5 SiO 14 activated with an impurity Mn (1000 ppm) has been studied by impedance spectroscopy. Impedance measurements (sp. gr. P321, Z=1) were carried out along crystallographic axes (double symmetry axis) and c (triple axis). It was found that values || a...

A regular crystal form, in particular the absence of conglomerates, is an important aspect of refined sugar quality because irregularities increase the quantity of mother liquor which remains on the surface of the crystals or is contained within occlusions in the crystals themselves. This aspect of sugar quality is of greater importance when processing lower purity liquors due to the increased ...

In this paper, we study the effect of single Boron/Nitrogen impurityatom on electronic properties of a silicene nano flake. Our calculations are basedon density functional theory by using Gaussian package. Here, one Si atom insilicene nano flake substitutes with a Boron/Nitrogen atom. The results show thatsubstitution of one Si atom with single Boron/Nitrogen atom increases distanceof impurity ...

In the present work, the exact diagonalization method had been implemented to calculate the ground state energy of shallow donor impurity located at finite distance along the growth axis in GaAs/AlGaAs heterostructure in the presence of a magnetic field taken to be along z direction. The impurity binding energy of the ground state had been calculated as a function of confining frequency and mag...