Precision determination of band offsets in strained InGaAs/GaAs quantum wells by C-V-profiling and Schroedinger-Poisson self-consistent simulation

The results of measurements and numerical simulation of charge carrier distribution and energy states in strained quantum wells In_xGa_{1-x}As/GaAs (0.06 < x < 0.29) by C-V-profiling are presented. Precise values of conduction band offsets for these pseudomorphic QWs have been obtained by means of self-consistent solution of Schroedinger and Poisson equations and following fitting to experimental data. For the conduction band offsets in strained In_xGa_{1-x}As/GaAs - QWs the expression DE_C(x) = 0.814x - 0.21x^2 has been obtained.Comment: 9 pages, 12 figures, RevTeX

Lattice Distortion and Magnetism of 3d-t2gt_{2g} Perovskite Oxides

Several puzzling aspects of interplay of the experimental lattice distortion and the the magnetic properties of four narrow $t_{2g}$-band perovskite oxides (YTiO$_3$, LaTiO$_3$, YVO$_3$, and LaVO$_3$) are clarified using results of first-principles electronic structure calculations. First, we derive parameters of the effective Hubbard-type Hamiltonian for the isolated $t_{2g}$ bands using newly developed downfolding method for the kinetic-energy part and a hybrid approach, based on the combination of the random-phase approximation and the constraint local-density approximation, for the screened Coulomb interaction part. Then, we solve the obtained Hamiltonian using a number of techniques, including the mean-field Hartree-Fock (HF) approximation, the second-order perturbation theory for the correlation energy, and a variational superexchange theory. Even though the crystal-field splitting is not particularly large to quench the orbital degrees of freedom, the crystal distortion imposes a severe constraint on the form of the possible orbital states, which favor the formation of the experimentally observed magnetic structures in YTiO$_3$, YVO_, and LaVO$_3$ even at the HF level. Beyond the HF approximation, the correlations effects systematically improve the agreement with the experimental data. Using the same type of approximations we could not reproduce the correct magnetic ground state of LaTiO$_3$. However, we expect that the situation may change by systematically improving the level of approximations for dealing with the correlation effects.Comment: 30 pages, 17 figures, 8 tables, high-quality figures are available via e-mai

Nambu monopoles in lattice Electroweak theory

We considered the lattice electroweak theory at realistic values of $\alpha$ and $\theta_W$ and for large values of the Higgs mass. We investigated numerically the properties of topological objects that are identified with quantum Nambu monopoles. We have found that the action density near the Nambu monopole worldlines exceeds the density averaged over the lattice in the physical region of the phase diagram. Moreover, their percolation probability is found to be an order parameter for the transition between the symmetric and the broken phases. Therefore, these monopoles indeed appear as real physical objects. However, we have found that their density on the lattice increases with increasing ultraviolet cutoff. Thus we conclude, that the conventional lattice electroweak theory is not able to predict the density of Nambu monopoles. This means that the description of Nambu monopole physics based on the lattice Weinberg - Salam model with finite ultraviolet cutoff is incomplete. We expect that the correct description may be obtained only within the lattice theory that involves the description of TeV - scale physics.Comment: LATE

Neutron diffraction study of YVO3, NdVO3, and TbVO3

The structural and magnetic properties of YVO3, NdVO3 and TbVO3 were investigated by single-crystal and powder neutron diffraction. YVO3 shows a structural phase transition at 200 K from an orthorhombic structure with the space group Pbnm to a monoclinic one with the space group P21/b. But supplementary high-resolution synchrotron diffraction experiments showed that the monoclinic distortion is extremely small. A group theoretical analysis shows that this magnetic state in the monoclinic phase is incompatible with the lattice structure, unless terms of higher than bilinear order in the spin operators are incorporated in the spin Hamiltonian. This observation is discussed in the light of recent theories invoking unusual many-body correlations between the vanadium t2g orbitals. A structural phase transition back to the orthorhombic space group Pbnm is observed upon cooling below 77 K. This transition is accompanied by a rearrangement of the magnetic structure into a mode compatible with the lattice structure. The crystal structures of NdVO3 and TbVO3 are closely similar to that of YVO3. However, only a single magnetic phase transition was found in the vanadium sublattice down to 9.5 K. Below 60 K the magnetic moments of the Nd- and Tb-ions are gradually polarized by the ordered vanadium moments. Below 11 K, we found a noncollinear order of the terbium moments

On the non-Abelian Stokes theorem for SU(2) gauge fields

We derive a version of non-Abelian Stokes theorem for SU(2) gauge fields in which neither additional integration nor surface ordering are required. The path ordering is eliminated by introducing the instantaneous color orientation of the flux. We also derive the non-Abelian Stokes theorem on the lattice and discuss various terms contributing to the trace of the Wilson loop.Comment: Latex2e, 0+14 pages, 3 figure

The Hitting Times with Taboo for a Random Walk on an Integer Lattice

For a symmetric, homogeneous and irreducible random walk on d-dimensional integer lattice Z^d, having zero mean and a finite variance of jumps, we study the passage times (with possible infinite values) determined by the starting point x, the hitting state y and the taboo state z. We find the probability that these passages times are finite and analyze the tails of their cumulative distribution functions. In particular, it turns out that for the random walk on Z^d, except for a simple (nearest neighbor) random walk on Z, the order of the tail decrease is specified by dimension d only. In contrast, for a simple random walk on Z, the asymptotic properties of hitting times with taboo essentially depend on the mutual location of the points x, y and z. These problems originated in our recent study of branching random walk on Z^d with a single source of branching

The synthesis of benzo[4,5]thieno[2,3-f]isoindole-carboxylic acids by IMDAV reaction

We successfully managed to expand the described approach to benzothiophene derivatives. 3-(Benzo[b]thiophen-2-yl)allylanilines were made to react with maleic anhydrides, a number of benzo[4,5]thieno[2,3-f]isoindole-10-carboxylic acids were obtained in different yields.This work was supported by the Russian Foundation for Basic Research (project № 19-03-00807 A)

Quantum Theory of Strings in Abelian Higgs Model

Starting from the Abelian Higgs field theory, we construct the theory of quantum Abrikosov--Nielsen--Olesen strings. It is shown that in four space -- time dimensions in the limit of infinitely thin strings, the conformal anomaly is absent, and the quantum theory exists. We also study an analogue of the Aharonov--Bohm effect: the corresponding topological interaction is proportional to the linking number of the string world sheet and the particle world trajectory. The creation operators of the strings are explicitly constructed in the path integral and in the Hamiltonian formulation of the theory. We show that the Aharonov--Bohm effect gives rise to several nontrivial commutation relations.Comment: 17 pages, LaTe

Structural, electronic, and magneto-optical properties of YVO3_3

Optical and magneto-optical properties of YVO$_3$ single crystal were studied in FIR, visible, and UV regions. Two structural phase transitions at 75 K and 200 K were observed and established to be of the first and second order, respectively. The lattice has an orthorhombic $Pbnm$ symmetry both above 200 K as well as below 75 K, and is found to be dimerized monoclinic $Pb11$ in between. We identify YVO$_3$ as a Mott-Hubbard insulator with the optical gap of 1.6 eV. The electronic excitations in the visible spectrum are determined by three $d$-bands at 1.8, 2.4, and 3.3 eV, followed by the charge-transfer transitions at about 4 eV. The observed structure is in good agreement with LSDA+$U$ band structure calculations. By using ligand field considerations, we assigned these bands to the transitions to the $^4A_{2g}$, $^2E_{g} + ^2T_{1g}$, and $^2T_{2g}$ states. The strong temperature dependence of these bands is in agreement with the formation of orbital order. Despite the small net magnetic moment of 0.01 $\mu_B$ per vanadium, the Kerr effect of the order of $0.01^\circ$ was observed for all three $d$-bands in the magnetically ordered phase $T_{\text{N\'eel}}<116 K$. A surprisingly strong enhancement of the Kerr effect was found below 75 K, reaching a maximum of $0.1^\circ$. The effect is ascribed to the non-vanishing net orbital magnetic moment.Comment: Submitted to Phys. Rev.

Modeling of complex oxide materials from the first principles: systematic applications to vanadates RVO3 with distorted perovskite structure

"Realistic modeling" is a new direction of electronic structure calculations, where the main emphasis is made on the construction of some effective low-energy model entirely within a first-principle framework. Ideally, it is a model in form, but with all the parameters derived rigorously, on the basis of first-principles electronic structure calculations. The method is especially suit for transition-metal oxides and other strongly correlated systems, whose electronic and magnetic properties are predetermined by the behavior of some limited number of states located near the Fermi level. After reviewing general ideas of realistic modeling, we will illustrate abilities of this approach on the wide series of vanadates RVO3 (R= La, Ce, Pr, Nd, Sm, Gd, Tb, Yb, and Y) with distorted perovskite structure. Particular attention will be paid to computational tools, which can be used for microscopic analysis of different spin and orbital states in the partially filled t2g-band. We will explicitly show how the lifting of the orbital degeneracy by the monoclinic distortion stabilizes C-type antiferromagnetic (AFM) state, which can be further transformed to the G-type AFM state by changing the crystal distortion from monoclinic to orthorhombic one. Two microscopic mechanisms of such a stabilization, associated with the one-electron crystal field and electron correlation interactions, are discussed. The flexibility of the orbital degrees of freedom is analyzed in terms of the magnetic-state dependence of interatomic magnetic interactions.Comment: 23 pages, 13 figure