In this work, the change in the energy and structure of local many-particle states of HTSC cuprate La _2-x Sr _x CuO _4 under the uniaxial compression along the c-axis is studied. Local copper-oxygen states are obtained using exact diagonalization of the CuO _6 octahedron as a part of the GTB method for the five-band p-d model. The dependence of interatomic distances on the c-axis compression is calculated according to Hooke’s law using elastic constants; the influence of interatomic distances on the on-site energies and hopping integrals is obtained using linear extrapolation of the results of ab initio calculations and the theory of MT-orbitals, respectively. The c-axis compression leads to a decrease in the energy of hole states with the nature of the a_1g symmetry orbitals. At a pressure value of P_c1^( c ) = 11.8 GPa, a spin crossover between the Zhang-Rice singlet and the triplet state B_1 occurs. At higher pressures, a second spin crossover between two-hole states and a crossover of single-hole states with different orbital compositions were also detected. Taking into account the competition of various local states with changing the value of uniaxial compression, the effective five-band Hubbard model is formulated to describe the electronic structure of quasiparticle excitations.

In this work, the effect of uniaxial pressure along the c axis on the electronic structure of the HTSC cuprate La2-xSrxCuO4 is investigated at the doping levels x = 0.1, 0.15, 0.25. The GTB method within the five-band p-d model framework is used to describe the electron system. The uniaxial compression leads to a significant reconstruction of the electronic structure and a change in the character of low-energy quasiparticle excitations: a large contribution of a1g symmetry orbitals appears at the top of the valence band. The crossover between the local Zhang-Rice singlet and the Emery-Reiter triplet was found at the pressure Pc = 15.1 GPa. The characteristic changes in the electronic structure under pressure occur abruptly as a result of the crossover. In particular, the top of the valence band displaces to the region around the k-point (pi,0), the Fermi contour transforms to the four pockets around (0,0),(2pi,0),(0,2pi),(2pi,2pi) and the one contour around (pi,pi).

We show that the strong spatial inhomogeneity of absorption (the change from the maximum to the minimum value was more than 50 times on a spatial scale of the order of 200–300 μm), which was observed in our earlier studies of ultrapure synthetic quartz glasses and a synthetic quartz crystal at a wavelength of 1070 nm, can be related to an inhomogeneous spatial distribution of the redox state of iron traces. Using experimental data on absorption of metal impurities in the studied glasses, we present a calculation of the iron ion concentration, which is of the order of a few ppb. This is several times better than the limit of detection of the mass spectrometry method used for certification of ultrapure quartz glasses. Based on the results of the mass spectrometry measurements of concentrations given by manufacturers and the values of the maximum (10 −5 cm −1 ) and minimum (10 −7 cm −1 ) absorption coefficient we have measured, we calculated the maximum possible concentrations of the Fe 2+ and Cu 2+ ions and OH groups in quartz glasses and hydrothermal synthetic crystalline quartz.

CuO atomic thin monolayer (mlCuO) was synthesized recently. Interest in the mlCuO is based on its close relation to CuO2 layers in typical high temperature cuprate superconductors. Here, we present the calculation of the band structure, the density of states and the Fermi surface of the flat mlCuO as well as the corrugated mlCuO within the density functional theory (DFT) in the generalized gradient approximation (GGA). In the flat mlCuO, the Cu-3dx2−y2 band crosses the Fermi level, while the Cu-3dxz,yz hybridized band is located just below it. The corrugation leads to a significant shift of the Cu-3dxz,yz hybridized band down in energy and a degeneracy lifting for the Cu-3dx2−y2 bands. Corrugated mlCuO is more energetically favorable than the flat one. In addition, we compared the electronic structure of the considered CuO monolayers with bulk CuO systems. We also investigated the influence of a crystal lattice strain (which might occur on some interfaces) on the electronic structure of both mlCuO and determined the critical strains of topological Lifshitz transitions. Finally, we proposed a number of different minimal models for the flat and the corrugated mlCuO using projections onto different Wannier functions basis sets and obtained the corresponding Hamiltonian matrix elements in a real space.

In this work, the concentration and temperature dependences of the superconducting gap of the HTSC cuprate in the orthorhombic phase are obtained within the framework of the Hubbard model taking into account the exchange mechanism of pairing. The enhanced s*-wave component of the superconducting gap against the background of the prevailing d-wave component in a narrow range of hole concentrations in the overdoped region is found. To elucidate the reasons for such unusual behavior the electronic structure of the low-energy excitations and the structure of the contributions of the pair states to the superconducting gap in momentum space were investigated at different doping. It is shown that the presence of a shallow pocket in the region of the maximum value of the s*-wave component of the gap results in different symmetry of the superconducting gap in different regions of the k-space and an increase in the s*-wave component.

We describe the functional capabilities of the time-resolved photothermal common-pass interferometry method. For two thermo-optical effect-based methods, photothermal common-pass interferometry and time-resolved photothermal common-pass interferometry, the achieved detection limit for absorption measurements in ultrapure quartz glasses (5 × 10−7 cm−1 and 2 × 10−9 cm−1, respectively) is given. The problem of calculating the variation of the refractive index tensor under local heating trigonal-symmetric crystals of class 32 by a focused laser beam is considered. For these crystals, it is shown that the problem of the influence of deformations on the measured signal is reduced to determine a thermo-optical parameter (an analog of dn/dT). The calculation of this parameter does not require a complete solution to the strain problem when the crystals are heated locally by laser radiation. The formulas for calculating the thermo-optical parameter P and its numerical values are presented. They are required to calibrate absorption measurements in crystalline quartz using the time-resolved photothermal common-pass interferometry scheme. For a full understanding, formulas of the theory of equilibrium deformations used in this study are presented. An analysis of the relevance of improving the thermo-optical method sensitivity for concentration measurements of pollutant inclusions in crystals, ultrapure quartz glasses, and ambient air is presented.

Electronic structure in the normal state and properties in the superconducting state of the orthorhombic phase in HTSC cuprates are studied within the multielectron generalized tight-binding (GTB) approach. The joint effect of variation of average Cu-O distance and orthorhombic distortion on the Fermi contour, band structure, and concentration dependence of T-c is studied. Quasiparticle excitations were constructed within the framework of the five-band p-d model for the layer of the CuO6 octahedra. The electronic structure of quasiparticle excitations in the effective Hubbard model is calculated using the equation of motion for Green's functions in the generalized mean-field approximation. Orthorhombic distortion leads to asymmetric with respect to the nodal direction of the Brillouin zone dispersion surface of quasiparticle excitations and to splitting of each van Hove singularity into two peaks. Transformation of the Fermi contour from hole pockets to the large hole and electron pockets occurs as a result of two quantum-phase transitions at dopings x(c1) and x(c2). Simultaneous average Cu-O distance elongation and orthorhombic distortion decreasing result in T-c decrease. T-c dependence on average Cu-O distance in the orthorhombic phase is in agreement with the behavior of experimental T-c (max) values when the DOS effect on T-c prevails over the effect of the exchange parameter. There are two T-c maxima in the orthorhombic system with the suppressed exchange parameter, and these maxima appear at concentrations x(c1) and x(c2).

Analysis of dielectric properties of several materials, BN, AlN with BN additive, crystalline quartz, MgAl(2)O(4)spinel, 6H-SiC in the millimeter and submillimeter (terahertz) ranges, is presented. Basing on the experimentally measured dielectric losses of these materials and on their thermal and mechanical properties, we made a calculation to estimate the maximal achievable output power that can be transmitted through disks made of such materials. Prospects for using these materials for gyrotron barrier window production are discussed.

The results of theoretical calculations for calibrating of absorption measurements of optically transparent crystals with trigonal symmetry using time-resolved photothermal common-path interferometry are presented. It is shown, the sensitivity of measurements in crystalline quartz is 3.5-6 times less than in quartz glass due to stresses that reduce thermal deformations. For the same reason, the effect of the induced temperature profile in a disk optical element on the wave front of heating radiation decreases by the same amount. The problems of experimental measurement of low absorption values in samples of synthetic crystalline quartz are discussed, as well as the possibility of using this material for the manufacture of flat elements mounted on the output of high-power technological CW lasers.

Doping and strain dependences of the electronic structure of the CuO6-octahedra layer within LDA+GTB method in the frameworks of six-band p-d model are calculated. Band structure and Fermi surface of the quasiparticle excitations in the effective Hubbard model are characterized by inhomogeneous distribution of the k-dependent spectral weight. Doping results in reconstruction of the band structure, redistribution of the spectral weight over dispersion surface, and reconstruction of Fermi surface from small hole pockets in the underdoped region to large hole contour in the overdoped region through two quantum phase transitions (QPT). Strain increasing leads to displacement of the valence and conductivity bands, bandwidths decreasing, and shift of the concentrations corresponding to QPTs. Strain dependences of the antiferromagnetic exchange coupling and DOS at the Fermi level determining superconducting temperature T-c are obtained. Effective exchange coupling in the equation for T-c demonstrates monotonic strain dependence.

We present the results of studying Russian synthetic crystalline quartz from the viewpoint of the possibility of its use for manufacturing optical elements of power optics. The results of experimental studies of the absorption and optical nonuniformity of crystal plates with dimensions of 12 × 8 × 1.7 cm as well as theoretical calculations of the thermooptical parameter for the disk configuration of the measured samples, which determines the value of the phase distortions of the wave front of heating radiation, are reported.

For systems with strong electron correlations and strong electron–phonon interaction, we analyze the electron–phonon interaction in local variables. The effects of the mutual influence of electron–electron and electron–phonon interactions that determine the structure of local Hubbard polarons are described. Using a system containing copper–oxygen layers as an example, we consider the competition between the diagonal and off-diagonal interactions of electrons with the breathing mode as the polaron band structure is formed within a corrected formulation of the polaron version of the generalized tight-binding method. The band structure of Hubbard polarons is shown to depend strongly on the temperature due to the excitation of Franck–Condon resonances. For an undoped La2CuO4 compound we have described the evolution of the band structure and the spectral function from the hole dispersion in an antiferromagnetic insulator at low temperatures with the valence band maximum at point (π/2, π/2) to the spectrum with the maximum at point (π, π) typical for the paramagnetic phase. The polaron line width at the valence band top and its temperature dependence agree qualitatively with angle-resolved photoemission spectroscopy for undoped cuprates.

In this work we investigate temperature dependence of electronic structure of system with strong electronic correlations and strong electron-phonon interaction modeling cuprates in the frameworks of the three-band p-d-Holstein model by a polaronic version of the generalized tight binding (GTB) method. Within this approach the electronic structure is formed by polaronic quasiparticles constructed as excitations between initial and final polaronic multielectron states. Temperature effect is taken into account by occupation numbers of local excited polaronic states and variations in the magnitude of spin-spin correlation functions. Temperature increasing leads to broadening of the spectral function peak at the top of the valence band, shift of the peak, the decreasing of the peak intensity.

We propose a time-resolved photothermal common-path interferometry scheme at fast heating in the absence of heat diffusion and employ it to measure absorption in Suprasil 311 silica glass (2.8 . 10(-6) cm (-1)) at a wavelength of 1071 nm and continual absorption in laboratory air (2.9 . 10(-8) cm(-1)) for a signal-to-noise ratio of 100/1. The absorption was measured at a thermally induced phase incursion of less than 0.1 rad in a heating beam, which guaranteed correct calibration. To calibrate this scheme, we developed a theory of diffraction on deformations taking into account the stresses arising in an inhomogeneous temperature field. This allowed us to use a standard glass K8 for calibration. The low level of noise and time resolution of pulsed signals allowed the distinguishing of the contributions of Kerr and striction nonlinearities to absorption measurements in Suprasil 311 silica glass and enabled the observance of the time evolution of strictional deformations. Additionally, an anomalous temporal development of the absorption of broadband laser radiation in atmospheric air at 2.9 . 10(-8) cm(-1 )has been revealed. (C) 2018 Optical Society of America

In this work dependences of the electron band structure and spectral function in the HTSC cuprates on magnitude of electron-phonon interaction (EPI) and temperature are investigated. We use three-band p-d model with diagonal and off-diagonal EPI with breathing and buckling phonon mode in the frameworks of polaronic version of the generalized tight binding (GTB) method. The polaronic quasiparticle excitation in the system with EPI within this approach is formed by a hybridization of the local multiphonon Franck-Condon excitations with lower and upper Hubbard bands. Increasing EPI leads to transfer of spectral weight to high-energy multiphonon excitations and broadening of the spectral function. Temperature effects are taken into account by occupation numbers of local excited polaronic states and variations in the magnitude of spin-spin correlation functions. Increasing the temperature results in band structure reconstruction, spectral weight redistribution, broadening of the spectral function peak at the top of the valence band and the decreasing of the peak intensity. The effect of EPI with two phonon modes on the polaron spectral function is discussed.

A data acquisition system of the OKA experiment on studying rare kaon decays on the U-70 accelerator is described. The basis of the blocked data acquisition system was the high-speed multichannel information system MISS with autonomous controllers that read out the front-end electronics in the sequential data reading mode and buffering data during the accelerator burst. Data stored in the buffer memory are read out and processed at the end of the accelerator burst. The DATE package builds subevents from event fragments and events from subevents via the event building network. The event building network with the star topology is made with 1GbE-interfaces and 24 × 1 Gb E-switch. The GlusterFS cluster file system underlies the distributed storage system.

In this work we investigate doping and temperature dependences of electronic structure of system with strong electronic correlations and strong electron-phonon interaction modeling cuprates in the frameworks of the three-band p-d-Holstein model by a polaronic version of the generalized tight binding (GTB) method. Within this approach the electronic structure is formed by polaronic quasiparticles constructed as excitations between initial and final polaronic multielectron states. Doping and temperature effects are taken into account by occupation numbers of local excited polaronic states and variations in the magnitude of spin-spin correlation functions. Both effects are manifested in the reconstruction of band structure, Fermi contours, density of states and redistribution of the spectral weight over the Hubbard polaron subbands. Doping leads to transformation of Fermi contour from small hole pockets around k=(pi/2,pi/2) with inhomogeneous spectral weight distribution at small hole concentration to large contour around k=(pi,pi) in the overdoped compound as a result of two quantum phase transitions. In the system with phonon subsystem and EPI doping results in the top of the valence band splitting off and new polaron subbands appearance. Temperature increasing in the system with doped holes and moderate EPI leads to formation of the flatband around k=(pi,pi) and transfer of the spectral weight to the splitted off top of the valence band.

The effect of strong electron correlations (SEC) and strong electron-phonon interaction (EPI) on the electronic structure of cuprates is studied within the polaronic version of the generalized tight binding method. Both diagonal and off-diagonal EPI in terms of ionic coordinates are considered.

The multielectron LDA+GTB approach has been developed to calculate electronic structure of strongly correlated cuprates. At low energies the effective Hamiltonian of the $t - t' - t" - {t_ \bot } - {J^ * } - {J_ \bot }$-model has been derived with parameters coming from the ab initio calculation for LSCO. The electronic structure of LSCO has been calculated self-consistently with the short-range antiferromagnetic order for various doping level. Two Lifshitz-type quantum phase transitions with Fermi surface topology changes have been found at dopings $x_{c1}=0.15$ and $x_{c2}=0.24$. Its effect on normal and superconducting properties has been calculated. The interatomic exchange parameter and its pressure dependence has been calculated within LDA+GTB scheme. The magnetic mechanisms of d-wave pairing induced by static and dynamical spin correlations are discussed. Simultaneous treatment of magnetic and phonon pairing results in the conclusion that both contributions are of the same order. For two layer cuprates like YBCO the interlayer hopping and exchange effects on the electronic structure and doping dependence of $T_c$ is discussed as well as the Coulomb interaction induced mechanism of pairing.