Search Results - "Zainullina, V. M."

Influence of Cation Impurities and Both Cation and Anion Nonstoichiometry on Aluminum Oxide Energy Gap Width by Zainullina, V. M., Korotin, M. A.

“…Using the coherent potential approximation, the electronic structure of α- (corundum) with various concentrations of mono and multi d - (Zr, Nb, Mo), p - (Ga,…”
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Multicomponent Doping as a Tool for Controlling the Energy Gap of Corundum by Zainullina, V. M., Korotin, M. A.

“…The electronic structure of aluminum oxide α-Al 2 O 3 (corundum) in the presence of s - (Li, Mg), p - (C, N, Si, Ga, Ge, Sn), and 4 d -element (Zr, Nb, Mo)…”
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Electronic band structure, optical absorption and photocatalytic activity of anatase doped with bismuth or carbon by Zhukov, V.P., Shein, I.R., Zainullina, V.M.

“…► The band structure of anatase containing oxygen vacancy or doped with bismuth or carbon have been calculated. ► The absorption spectra and energy formation…”
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The effect of crystal lattice distortions on the electronic band structure and optical properties of the N,V- and N,Na-doped anatase by Zhukov, V.P., Zainullina, V.M.

“…The crystal structure, energy band structure and optical absorption of the N,V-doped and N,Na-doped anatase are studied by means of the first-principle…”
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Influence of Nonstoichiometry on the Magnetic Properties of CeFe2:Mn Alloys by Zainullina, V. M., Korotin, M. A.

“…Experimental dependences of the spontaneous magnetic moment per 3 d atom on the impurity concentration for doped CeFe 2 :Mn alloys are surprising. The…”
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Evolution of the Electronic Properties of SrFe1 −x−y−zAlxMnyCozO3 Solid Solutions Depending on the Composition and the Degree of Localization of Electronic States by Zainullina, V. M., Korotin, M. A., Kozhevnikov, V. L.

“…The genesis of the electronic spectrum in SrFe 1 − x Al x O 3 , SrFe 1 − x Mn x O 3 , SrFe 1 − x Co x O 3 , SrFe 1 − 2 x Al x Co x O 3 , and SrFe 1 −   y − z…”
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Ab initio calculations of electronic structure, chemical bonding and magnetic properties of Sn1-xCrxO2-y (0.0≤Χ≤0.25; y = 0.0625) by ZAINULLINA, V. M

“…The electronic structures and magnetic moments on chromium atoms in rutile-type crystals Sn1-xCrxO2-y, 0x0.25 were calculated using the linear muffin-tin…”
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Electronic structure and properties of strontium ferrite Sr3Fe2O6 by Zainullina, V. M., Korotin, M. A., Kozhevnikov, V. L.

“…The electronic structure of strontium ferrite Sr3Fe2O6 was calculated using the tight-binding linear muffin-tin orbital method (TB LMTO) in the local spin…”
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Genesis of the electronic spectrum and magnetic properties of a high-temperature phase of nonstoichiometric strontium ferrite SrFeO3–δ (0 ≤ δ ≤ 0.5) by Zainullina, V. M., Korotin, M. A., Kozhevnikov, V. L.

“…The genesis of the electronic spectrum and magnetic properties of a high-temperature cubic phase of SrFeO 3–δ with the disordered distribution of oxygen…”
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Characterization of TiAlSiON coatings deposited by plasma enhanced magnetron sputtering: XRD, XPS, and DFT studies by Kamenetskih, A.S., Kukharenko, A.I., Kurmaev, E.Z., Skorikov, N.A., Gavrilov, N.V., Cholakh, S.O., Chukin, A.V., Zainullina, V.M., Korotin, M.A.

“…The results of characterization of TiAlSiON hard coatings deposited on ferric-chromium AISI 430 stainless steel by plasma enhanced magnetron sputtering are…”
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Electronic structure of nonstoichiometric compounds in the coherent potential approximation by Korotin, M. A., Skorikov, N. A., Zainullina, V. M., Kurmaev, E. Z., Lukoyanov, A. V., Anisimov, V. I.

“…We formulate and implement a method for electronic structure calculations based on the coherent potential approximation. This method provides an accurate…”
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Electronic structure, chemical bonding and properties of Sn1−xMxO2, M=As, Sb, Bi, V, Nb, Ta (0.0⩽x⩽0.25) by Zainullina, V.M.

“…The electronic structure of rutile-type crystals Sn1-xMxO2, M=As, Sb, Bi, V, Nb, Ta, 0x0.25 was studied using the linear muffin-tin orbital method within the…”
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Investigation of the electronic structure and chemical bonding of lead hexacyanoferrate(III) by Zainullina, V. M., Korotin, M. A., Maksimova, L. G.

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Quantum-chemical modeling of the electronic structure and chemical bond of Sn0.875M0.125O2 (M = Cr, Mn, Co) by Zainullina, V. M.

“…The electronic structure of the Sn 0.875 M 0.125 O 2 compounds (M = Cr, Mn, Co) with a rutile structure and magnetic moments of the transition metal atoms in…”
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Electronic structure and the optical and photocatalytic properties of anatase doped with vanadium and carbon by Zaĭnullina, V. M., Zhukov, V. P., Krasil’nikov, V. N., Yanchenko, M. Yu, Buldakova, L. Yu, Polyakov, E. V.

“…The electronic structures of undoped anatase and anatase doped with carbon and vanadium have been calculated using the ab initio tight-binding linear…”
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Defect clusterization and transport properties of oxide and fluoride ionic conductors with fluorite structure: Quantum-chemical approach by Zainullina, V. M., Zhukov, V. P.

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First-principles calculations of the electronic structure of fluorite-type crystals (CaF2, BaF2, SrF2, and PbF2) containing Frenkel defects. Analysis of optical and transport properties by Zhukov, V. P., Zainullina, V. M.

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Diffusion transport in hexagonal ferrites with magnetoplumbite structure by Zhukovsky, V.M, Bushkova, O.V, Zainullina, V.M, Dontsov, G.I, Volosentseva, L.I, Zhukovskaya, A.S

“…The diffusion coefficients of lead (plumbum), strontium and barium in hexagonal ferrite ceramics were studied by means of the radio-tracer method. It was…”
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Electronic structure, interactions between Frenkel defects and ionic conductivity characteristics in the MeF2 (Me = Ca, Sr, Ba, Pb) fluorite-type compounds: Ab initio LMTO-TB supercell approach by ZAINULLINA, V. M, ZHUKOV, V. P, ZHUKOVSKY, V. M

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Synthesis and photocatalytic activity of Ti[₁ − x]V x O[₂ − y]C y whiskers in hydroquinone oxidation in aqueous solutions by Krasil'nikov, V. N, Shtin, A. P, Gyrdasova, O. I, Polyakov, E. V, Buldakova, L. Yu, Yanchenko, M. Yu, Zainullina, V. M, Zhukov, V. P

“…Ti₁−x V x O₂−y C y (0 ≤ x ≤ 0.10 and x = 0.50) whiskers having the anatase structure were synthesized via thermolysis of vanadium-doped titanium glycolate of…”
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