Search Results - "Yakovkin, I. N."

Absence of the Rashba Splitting of Au(111) Surface Bands by Yakovkin, I. N.

“…The electronic structure of Au(111) films is studied by means of relativistic DFT calculations. It is found that the twinning of the surface bands, observed in…”
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Driving force for the WO3(001) surface relaxation by YAKOVKIN, I. N, GUTOWSKI, M

“…The optimized structure of the WO3(001) surface with various types of termination ((1X1)O, (1X1)WO2, and c(2X2)O) has been simulated using density functional…”
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Band ordering and surface states of SnTe and PbTe by Yakovkin, I.N.

“…The band ordering in SnTe and PbTe, which is the cornerstone of the theory of topological insulators, and band structures of SnTe(001) and PbTe(001) surfaces…”
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A DFT and Monte Carlo study of lateral interactions in Be layers on W(112) by Yakovkin, I.N.

“…Results of performed DFT calculations show that Be atoms adsorb in the furrows of the W(112) surface up to the 1.33 ML coverage, thus smoothing the surface. As…”
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Lateral interactions and zigzag chains of Ho on the Mo(110) surface by Śliwiński, J., Wiejak, M., Klein, Sz, Kołaczkiewicz, J., Yakovkin, I.N.

“…The structure of Ho adsorbed layers on the Mo(110) surface has been studied by low energy electron diffraction (LEED) and scanning tunneling microscope (STM)…”
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Indirect interaction in Ag and Pd adsorbed layers on the Mo(112) surface by Śliwiński, J., Wiejak, M., Kołaczkiewicz, J., Yakovkin, I.N.

“…▸ The structure of Ag/Mo(112) has been studied by LEED. ▸ DFT calculations show that adjacent Ag or Pd adatoms attract each other. ▸ The missing-row p(1×2) Pd…”
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Metallicity of atomic wires by Yakovkin, I.N.

“…The variety of atomic “dimensional” wires can now be synthesized on furrowed and stepped surfaces. These adlayers provide a variety of opportunities for…”
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Density of states and the problem of Sm valence by Yakovkin, I.N.

“…Density of states for Sm metal has been calculated in DFT/GGA approximation using the same treatment for f and s–d bands. It is concluded that the 4f electrons…”
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DFT study of oxygen adsorption on W(1 1 2) surface by Yakovkin, I.N.

“…Oxygen adsorption on the W(1 1 2) surface has been simulated within DFT in local density approximation. It has been found that at 1 ML coverage, quasi…”
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Localization and screening in GdNi alloy films by Wu, N., LaGraffe, D., Yakovkin, I. N., Dowben, P. A.

“…Gd/Ni compounds with different Gd concentration have been investigated with constant initial state spectroscopy (CIS) of photoemission utilizing the light of…”
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Band structure of the MoS2 bilayer with adsorbed and intercalated Na by Yakovkin, I. N.

“…Density‐functional theory (DFT) calculations show that the Na adsorption on the MoS2 (0001) surface, as well as Na intercalation into the space between MoS2…”
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Relaxation of the Mo(112) and W(112) surfaces by YAKOVKIN, I. N

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Monte Carlo simulation of CO and O coadsorption and reaction on Pt(1 1 1) by Petrova, N.V., Yakovkin, I.N.

“…Dissociative oxygen adsorption, CO adsorption on the oxygen-covered Pt(1 1 1) surface, formation and stability of the p(2 × 2) structure of adsorbed oxygen and…”
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Band structure of Au layers on the Ru(0001) and graphene/Ru(0001) surfaces by Yakovkin, I. N.

“…The electronic structures of Au monolayers on the Ru(0001) and graphene-coated Ru(0001) surfaces have been calculated by DFT method using the supercell…”
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Atomic wires on furrowed transition metal surfaces by Yakovkin, I N

“…At low coverages, alkali, alkaline earth, and rare earth layers adsorbed on furrowed transition metal surfaces--such as the Mo(112) surface--demonstrate a…”
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Formation of linear structures of Sr and Gd films on the Mo(1 1 2) and W(1 1 2) surfaces by Yakovkin, I.N.

“…At low coverages, alkaline earth and rare earth layers adsorbed on furrowed transition metal surfaces––such as W(1 1 2) and Mo(1 1 2)––tend to form…”
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Efficient channel of the associative oxygen desorption from Pt(1 1 1) by Yakovkin, I.N., Petrova, N.V.

“…Mechanism of the associative desorption of oxygen from the Pt(1 1 1) surface has been studied on atomic level by means of density-functional calculations. Key…”
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H/D Isotopic Exchange in Water Interactions with the Ferroelectric Copolymer:  Poly(vinylidene fluoride−trifluoroethylene) (70%:30%) by Rosa, Luis G, Yakovkin, I. N, Dowben, P. A

“…For both water and heavy water adsorption and absorption on crystalline poly(vinylidene fluoride with trifluoroethylene (30%)), P(VDF-TrFE 70:30), two…”
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Quantum confinement in free Cu(111), Ag(111), and Au(111) layers and apparent splitting of surface bands by Yakovkin, I.N.

“…•The splitting of surface states of (111) thin films of noble metals is discussed.•An alternative explanation of splitting of the Shockley bands is…”
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Spin-orbit band gaps and destruction of Dirac cones by Yakovkin, I.N.

“…The relativistic band structures of the IV group honeycomb monolayers, from graphene to plumbene (C-Si-Ge-Sn-Pb), have been calculated within DFT in Local…”
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