Search Results - "BEKENEV, V. L"

First-principles band-structure calculations and X-ray photoelectron spectroscopy studies of the electronic structure of TlPb2Cl5 by Khyzhun, O.Y., Bekenev, V.L., Denysyuk, N.M., Parasyuk, O.V., Fedorchuk, A.O.

“…[Display omitted] •Electronic structure of TlPb2Cl5 is calculated by the FP-LAPW method.•The valence band is dominated by contributions of Cl 3p…”
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Electronic structure of the high-temperature tetragonal Tl3PbBr5 phase by Denysyuk, N.M., Bekenev, V.L., Karpets, M.V., Parasyuk, O.V., Danylchuk, S.P., Khyzhun, O.Y.

“…[Display omitted] •Electronic structure of tetragonal Tl3PbBr5 is calculated by the FP-LAPW method.•The valence band is dominated by contributions of Br 4p…”
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Single crystal growth and the electronic structure of orthorhombic Tl3PbBr5: A novel material for non-linear optics by Khyzhun, O.Y., Bekenev, V.L., Parasyuk, O.V., Danylchuk, S.P., Denysyuk, N.M., Fedorchuk, A.O., AlZayed, N., Kityk, I.V.

“…► XPS spectra of Tl3PbBr5 single crystals have been measured. ► High chemical stability of surface is characteristic of the Tl3PbBr5 single crystal. ►…”
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Single crystal growth and the electronic structure of TlPb2Br5 by Khyzhun, O.Y., Bekenev, V.L., Denysyuk, N.M., Kityk, I.V., Rakus, P., Fedorchuk, A.O., Danylchuk, S.P., Parasyuk, O.V.

“…•High-quality TlPb2Br5 single crystal has been synthesized.•XPS data reveal high chemical stability and low hygroscopicity of TlPb2Br5 surface.•Electronic…”
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Electronic structure of face-centred cubic MoO2 : A comparative study by the full potential linearized augmented plane wave method, X-ray emission spectroscopy and X-ray photoelectron spectroscopy by KHYZHUN, O. Yu, BEKENEV, V. L, SOLONIN, Yu. M

“…X-ray emission spectroscopy (XES) and X-ray photoelectron spectroscopy (XPS) methods were employed in the present paper to investigate the electronic structure…”
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Structure of the dense amorphous carbon phase synthesized in a mixture with diamond as a result of shock compression of carbon black by Kurdyumov, A.V., Britun, V.F., Khyzhun, O.Yu, Zaulychnyy, Ya.V., Bekenev, V.L., Dymarchuk, V.O., Danilenko, A.I.

“…Soft X-ray emission and absorption spectroscopy methods were used in the present work to study experimentally the electronic structure of the dense amorphous…”
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Atomic and Electronic Structure of 3C-SiC(111)-(23×23 )-R30° Surface by Bekenev, V. L., Zubkova, S. M.

“…The theoretical studies and ab initio calculations have been carried out for the first time for atomic and electronic structure of four variants of 3 C…”
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The electronic structure of Pb2MoO5: First-principles DFT calculations and X-ray spectroscopy measurements by Khyzhun, O.Y., Bekenev, V.L., Atuchin, V.V., Pokrovsky, L.D., Shlegel, V.N., Ivannikova, N.V.

“…The electronic structure of lanarkite-type Pb2MoO5 was explored by experimental and theoretical methods. The XPS and XES measurements were carried out at the…”
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Atomic and electron structure of reconstructed (111) surface in ZnSe and CdSe crystals by Bekenev, V. L., Zubkova, S. M.

“…The atomic and electron structure of four variants of polar (111)-(2 × 2) surfaces in ZnSe and CdSe terminated by a cation, namely, the ideal, relaxed,…”
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First-principles calculations and X-ray spectroscopy studies of the electronic structure of CuWO4 by KHYZHUN, O. Yu, BEKENEV, V. L, SOLONIN, Yu. M

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Specific Peculiarities of the Electronic Structure of SrPb3Br8 As Evidenced from First-Principles DFT Band-Structure Calculations by Khyzhun, O. Y., Bekenev, V. L., Denysyuk, N. M., Isaenko, L. I., Yelisseyev, A. P., Goloshumova, A. A., Tarasova, A. Y.

“…We report data of band-structure calculations based on density functional theory (DFT) of ternary strontium lead bromide, SrPb 3 Br 8 , a prospective…”
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Atomic and electronic structure of the CdTe(111)B–(2√3 × 4) orthogonal surface by Bekenev, V. L., Zubkova, S. M.

“…The atomic and electronic structure of four variants of Te-terminated CdTe(111) B –(2√3 × 4) orthogonal polar surface (ideal, relaxed, reconstructed, and…”
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Electronic structure of non-centrosymmetric AgCd2GaS4 and AgCd2GaSe4 single crystals by Bekenev, V.L., Bozhko, V.V., Parasyuk, O.V., Davydyuk, G.E., Bulatetska, L.V., Fedorchuk, A.O., Kityk, I.V., Khyzhun, O.Y.

“…► XPS spectra of AgCd2GaS4 and AgCd2GaSe4 single crystals have been measured. ► High chemical stability of the (001) surface is characteristic of the single…”
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Electronic structure of KTiOAsO4: A comparative study by the full potential linearized augmented plane wave method, X-ray emission spectroscopy and X-ray photoelectron spectroscopy by KHYZHUN, O. Yu, BEKENEV, V. L, ATUCHIN, V. V, SINELNICHENKO, A. K, ISAENKO, L. I

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First-principles FP-LAPW calculations and X-ray spectroscopy studies of the electronic structure of Zr3V3O and Zr3V3O0.6 oxides by Khyzhun, O.Yu, Bekenev, V.L., Karpets, M.V., Zavaliy, I.Yu

“…Electronic properties of Zr3V3O oxide, a very promising hydrogen-storage material, were studied both from theoretical and experimental points of view employing…”
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Electronic structure and elastic moduli of the simple cubic fullerite C24—A new allotropic carbon modification by Bekenev, V. L., Pokropivny, V. V.

“…The energy band structure, equation of state, density of states, and elastic moduli of a new allotropic carbon modification, namely, fullerite C24 with a…”
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On the theory of X-ray K-absorption spectra of transition elements in intermetallic compounds at the region of near absorption edge by BEKENEV, V. L, DOBROVOLSKY, V. D, KOPYLOVA, E. I, LISENKO, A. A, SOLONIN, Yu. M

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Electronic properties and bulk moduli of new boron nitride polymorphs, i.e., hyperdiamond B12N12 and simple cubic B24N24, B12N12 fulborenites by Pokropivny, V. V., Bekenev, V. L.

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Electronic properties of ZnWO4 based on ab initio FP-LAPW band-structure calculations and X-ray spectroscopy data by Khyzhun, O.Y., Bekenev, V.L., Atuchin, V.V., Galashov, E.N., Shlegel, V.N.

“…Total and partial densities of states of the atoms constituting zinc tungstate, ZnWO4, have been calculated using the ab initio full potential linearized…”
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Thermodynamic modeling of parameters for quasibinary eutectic LaB6−ZrB2 by Danilenko, V M, Paderno, Yu B, Bekenev, V L

“…A consistent system is contructed for models of phase equilibria in the binary systems La−B, Zr−B, and La−Zr and the ternary system La−Zr−B. The models are…”
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