Search Results - "Radny, M W"

Electronic effects of isolated halogen atoms on the Ge(001) surface by Shah, G.A., Radny, M.W., Smith, P.V.

“…The asymmetric slab approach and density functional theory (DFT) are used to discuss the interaction of isolated halogen atoms (F, Cl, Br and I) with the…”
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Structural and electronic properties of chain-like structures formed by mixed PbAl dimers on Si(001) — Computational DFT study by Puchalska, A., Racis, A., Jurczyszyn, L., Radny, M.W.

“…The energetics as well as structural and electronic properties of one-dimensional chains composed of mixed PbAl ad-dimers on the Si(001) surface are…”
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Pb chain-like structures on the clean Si(001) surface — A DFT study by Jurczyszyn, L., Radny, M.W., Smith, P.V.

“…The adsorption of lead (Pb) atoms on the clean Si(001)c(4×2) reconstructed surface as a function of the adatom coverage is investigated using density…”
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Phosphine dissociation on the Si(001) surface by WILSON, H. F, WARSCHKOW, O, MARKS, N. A, SCHOFIELD, S. R, CURSON, N. J, SMITH, P. V, RADNY, M. W, MCKENZIE, D. R, SIMMONS, M. Y

“…Density functional calculations are performed to identify features observed in STM experiments after phosphine (PH3) dosing of the Si(001) surface. On the…”
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Spin–orbit and modified Becke–Johnson potential effects on the electronic properties of bulk Ge: A density functional theory study by Smith, P.V., Hermanowicz, M., Shah, G.A., Radny, M.W.

“…► Assesses reliability of Tran–Blaha potential for describing bulk germanium (Ge). ► Shows this new approach gives results as good as state-of-the-art GW…”
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Topological electronic effects in exfoliated thin films of bismuth telluride by Hermanowicz, M., Radny, M. W.

“…An important aspect of band gap engineering in 2D thin films of topological insulators is determining their surface electronic properties at various atomic…”
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Interaction of acetone with the Si(0 0 1) surface by Saraireh, S.A., Smith, P.V., Radny, M.W., Schofield, S.R., King, B.V.

“…The adsorption of acetone [(CH 3) 2CO] on the Si(0 0 1) surface has been investigated using density functional theory (DFT) and scanning tunneling microscopy…”
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Phosphine adsorption and dissociation on the Si(001) surface : An ab initio survey of structures by WARSCHKOW, O, WILSON, H. F, MARKS, N. A, SCHOFIELD, S. R, CURSON, N. J, SMITH, P. V, RADNY, M. W, MCKENZIE, D. R, SIMMONS, M. Y

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Topological electronic states of bismuth selenide thin films upon structural surface defects by Hermanowicz, M., Radny, M.W.

“…•Surface electronic structure of asymmetric thin films of Bi2Se3 is studied in DFT.•Electronic properties evolve drastically as a function of surface…”
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Towards hybrid silicon-organic molecular electronics: The stability of acetone on the Si(0 0 1) surface by Saraireh, S.A., Schofield, S.R., Smith, P.V., Radny, M.W., King, B.V.

“…We present the results of a combined study using scanning tunneling microscopy (STM) and density functional theory (DFT) of the interaction of acetone [(CH 3)…”
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Binding sites for SiH2/Si(001) : A combined ab initio, tight-binding, and classical investigation by CEREDA, S, MONTALENTI, F, COGONI, M, BRANDUARDI, D, RADNY, M. W, SMITH, P. V, MIGLIO, Leo

“…Binding sites for SiH2 on Si(001) are investigated theoretically by using several different methods. Possible local minima are first sampled by classical…”
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Theoretical study of the initial stages of Ba growth on Si(100) substrate by Puchalska, A., Jurczyszyn, L., Racis, A., Radny, M.W.

“…•Structural and electronic properties of Ba monomers and dimers on Si(100).•The increase of the local chemical reactivity of Si(100) induced by Ba monomer.•The…”
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Energetics of finite, clean and hydrogenated silicon nanotubes by Ponomarenko, O., Radny, M.W., Smith, P.V.

“…The energetics and relative stability of infinite and finite, clean and hydrogenated open-ended Si nanotubes is investigated using the extended Brenner…”
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Doping and STM tip-induced changes to single dangling bonds on Si(0 0 1) by Reusch, T.C.G., Warschkow, O., Radny, M.W., Smith, P.V., Marks, N.A., Curson, N.J., McKenzie, D.R., Simmons, M.Y.

“…We have studied single Si dangling bonds on the Si(0 0 1) surface using scanning tunnelling microscopy (STM) and density functional theory (DFT) calculations…”
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Adsorption of O and Cl on Tl/Si(111)––Suppressed spin polarization via bilayer formation by Pieczyrak, B., Jurczyszyn, L., Radny, M.W.

“…•Two dimensional spin polarized electronic states within the Tl/Pb adlayers on Si(111).•Adsorption of O(Cl) on Tl/Si(111) suppresses the spin polarization of…”
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Initial growth of Ba on Ge ( 001 ) : An STM and DFT study by Koczorowski, W., Puchalska, A., Grzela, T., Radny, M. W., Jurczyszyn, L., Schofield, S. R., Czajka, R., Curson, N. J.

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Molecular dissociation of group-V hydrides on Si(001) by MCDONELL, T. L, MARKS, N. A, WARSCHKOW, O, WILSON, H. F, SMITH, P. V, RADNY, M. W

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Isolated benzene and dichlorobenzene on the Ge(100)-c(4×2) surface by Puchalska, A., Jurczyszyn, L., Stankiewicz, B., Radny, M.W.

“…•Energetic order was found for benzene/Ge(100) and dichlorobenzene/Ge(100) systems.•We consider the atomic and electronic structure of molecule-semiconductor…”
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Interaction of a single acetophenone molecule with group III-IV elements mediated by Si(001) by Racis, A., Jurczyszyn, L., Radny, M.W.

“…•An isolated acetophenone molecule adsorbed on Si(001) can act as the nucleation center for diffusing ad-atoms in the similar way as C-defects.•Adsorption of…”
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Structure and energetics of hydrogenated and dehydrogenated carbon tori by Ponomarenko, O., Radny, M.W., Smith, P.V.

“…It is shown that large-diameter, finite and extended, hydrogenated, single-walled carbon nanotubes are energetically and structurally unstable. The instability…”
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