arXiv subjects

Alexandra Shipilova

Publications and source records attributed to Alexandra Shipilova.

8 recordsLinked to original sources

arXiv2019

Angular decorrelations in $γ+ 2 jet$ events at high energies in the parton Reggeization approach

We study associated production of prompt photon and two jets at high energies in the framework of the parton Reggeization approach, which is based on multi-Regge factorization of hard processes and Lipatov's effective theory of Reggeized gluons and quarks. In this approach, initial-state off-shell effects and transverse momenta of initial partons are included in a gauge-invariant way. We compute azimuthal angle difference spectra in $γ+ 2 jets$ events and compare results with data from D0 Collaboration at the Tevatron. It was found that agreement between predictions and data can be achieved only under assumption on strong violation in transverse momentum ordering during initial-state QCD evolution which corresponds multi-Regge kinematical regime instead of DGLAP picture.

hep-ph↗

arXiv2018

Ab initio study of optical and bulk properties of cesium lead halide perovskite solid solutions

The first principles calculations of band gaps and bulk moduli of cesium lead halide perovskite solid solutions, $CsPb(I_{1-x}Cl_x)_3$ and $CsPb(I_{1-x}Br_x)_3$, are performed at the level of general gradient approximation of the density functional theory. We use supercell approach for computational modeling of disordered systems, which gives a description of the properties of the structure basing on the average over a set of multiple onfigurations, namely distributions of different species over a given set of atomic positions. The calculations were performed with the CRYSTAL14 program package. The dependence of the band gap and bulk modulus on the content $x$ are investigated over the whole range $0\le x\le 1$.

cond-mat.dis-nn↗

arXiv2017

First-principles calculations of $LiNbO_3$ optical properties: from far-infrared to ultraviolet

We perform first-principles calculations of optical properties for ferroelectric phase of $LiNbO_3$ crystal using density functional theory for wide range of wavelengths, from far-infrared to ultraviolet. We study frequency dependence of complex dielectric tensor and related quantities, such as refractive and reflection indices, absorption coefficients, etc. Our calculation incorporate advantages of numerical approaches based on atomic-orbital all-electron Gaussian-type basis sets, as it is realized in CRYSTAL14 program. We compared predictions obtained in general-gradient approach with PBESOL exchange-correlation functional and in hybrid approach with PBESOL0 functional, and we have found that hybrid PBESOL0 functional is more applicable to describe the wide set of the experimental data.

cond-mat.mtrl-sci↗

arXiv2017

Optical properties of lowest-energy carbon allotropes from the first-principles calculations

We study the optical properties of lowest-energy carbon allotropes in the infrared, visible and ultra-violet ranges of light in the general gradient approximation of the density functional theory. In our calculations we used the all-electron approach as well as the pseudo-potential approximation. In the infrared range, the complex dielectric functions, infrared and Raman spectra have been calculated using CRYSTAL14 program. The electronic properties and energy-dependent dielectric functions in the visible and ultraviolet ranges have been calculated using VASP program. We have described with a good accuracy experimentally known optical properties of cubic diamond crystal. Using obtained set of relevant parameters for calculations, we have predicted optical constants, dielectric functions and Raman spectra for the lowest-energy hypothetical carbon allotropes and lonsdaleite.

cond-mat.mtrl-sci↗

arXiv2017

Heavy quark production at the LHC in the Parton Reggeization Approach

We present the general introduction to the Parton Reggeization Approach and discuss some new results on large-p_T production for heavy quarks at the LHC. We concentrate here on study of different correlation spectra for b\barb-jet pairs, D\barD-meson pairs and DD-meson pairs.

hep-ph↗

arXiv2017

Prediction of new sp3 silicon and germanium allotropes from the topology-based multiscale method

This article continues our recent publication [I.A. Baburin and D.M. Proserpio and V.A. Saleev and A.V. Shipilova, Phys. Chem. Chem. Phys.17, 1332 (2015)] where we have presented a comprehensive computational study of sp3 carbon allotropes based on the topologies proposed for zeolites. Here we predict six new silicon and six new germanium allotropes which have the same space group symmetries and topologies as those predicted earlier for the carbon allotropes, and study their structural, elastic, vibrational, electronic and optical properties.

cond-mat.mtrl-sci↗

arXiv2014

B-meson production in the Parton Reggeization Approach at Tevatron and the LHC

We study the inclusive hadroproduction of $B^0$, $B^+$, and $B_s^0$ mesons at leading order in the parton Reggeization approach using the universal fragmentation functions extracted from the combined $e^+e^-$ annihilation data from CERN LEP1 and SLAC SLC colliders. We have described $B$-meson transverse momentum distributions measured in the central region of rapidity by the CDF Collaboration at Fermilab Tevatron and CMS Collaboration at LHC within uncertainties and without free parameters, applying Kimber-Martin-Ryskin unintegrated gluon distribution function in a proton. The forward $B$-meson production ($2.0<y<4.5$) measured by the LHCb Collaboration also has been studied and expected disagreement between our theoretical predictions and data has been obtained.

hep-ph↗

arXiv2012

Inclusive b-jet and b\bar b-dijet production at the LHC via Reggeized gluons

We study inclusive $b$-jet and $b\bar b$-dijet production at the CERN LHC invoking the hypothesis of gluon Reggeization in $t$-channel exchanges at high energy. The $b$-jet cross section includes contributions from open $b$-quark production and from $b$-quark production via gluon-to-bottom-pair fragmentation. The transverse-momentum distributions of inclusive $b$-jet production measured with the ATLAS detector at the CERN LHC in different rapidity ranges are calculated both within multi-Regge kinematics and quasi-multi-Regge kinematics. The $b\bar b$-dijet cross-section is calculated within quasi-multi-Regge kinematics as a function of the dijet invariant mass $M_{jj}$, the azimuthal angle between the two jets $Δϕ$ and the angular variable $χ$. At the numerical calculation, we adopt the Kimber-Martin-Ryskin and Blümlein prescriptions to derive unintegrated gluon distribution function of the proton from its collinear counterpart, for which we use the Martin-Roberts-Stirling-Thorne set. We find good agreement with measurements by the ATLAS and CMS Collaborations at the LHC at the hadronic c.m.\ energy of $\sqrt S=7$ TeV.

hep-ph↗