Oliver Warschkow

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The ability to control matter at the atomic scale and build devices with atomic precision is central to nanotechnology. The scanning tunnelling microscope can manipulate individual atoms and molecules on surfaces, but the manipulation of silicon to make atomic-scale logic circuits has been hampered by the covalent nature of its bonds. Resist-based(More)
We report the solution of the c(4 x 2) reconstruction of SrTiO(3) (001), obtained through a combination of high-resolution transmission electron microscopy, direct methods analysis, and density functional theory. The structure is characterized by a single overlayer of TiO(2) stoichiometry in which TiO(5) polyhedra are arranged into edge-shared structures,(More)
Oxide surfaces are important for applications in catalysis and thin film growth. An important frontier in solid-state inorganic chemistry is the prediction of the surface structure of an oxide. Comparatively little is known about atomic arrangements at oxide surfaces at present, and there has been considerable discussion concerning the forces that control(More)
We have recently reported structure solutions for the (2 · 1) and c(4 · 2) reconstructions of SrTiO 3 (0 0 1) based on high-resolution electron microscopy, direct methods analysis of diffraction data and density functional theory. Both reconstructions were found to be TiO 2-rich and feature a single overlayer of TiO 2 stoichiometry on top of a bulk-like TiO(More)
Characterization of lead substitution for calcium in hydroxyapatite (CaHA) is carried out, using experimental techniques and Density Functional theoretical (DFT) analyses. Theoretical modeling is used to obtain information of the Pb chemical environment for occupancy at either Ca(I) or Ca(II) sites of CaHA. Effects of the larger ionic radius of Pb(+2)(More)
The c͑6 ϫ 2͒ is a reconstruction of the SrTiO 3 ͑001͒ surface that is formed between 1050 and 1100 ° C in oxidizing annealing conditions. This work proposes a model for the atomic structure for the c͑6 ϫ 2͒ obtained through a combination of results from transmission electron diffraction, surface x-ray diffraction, direct methods analysis, computational(More)
Density functional calculations are performed to identify features observed in STM experiments after phosphine (PH3) dosing of the Si(001) surface. On the basis of a comprehensive survey of possible structures, energetics, and simulated STM images, three prominent STM features are assigned to structures containing surface bound PH2, PH, and P, respectively.(More)
Within a full density functional theory framework we calculate the band structure and doping potential for phosphorus δ-doped silicon. We compare two different representations of the dopant plane; pseudo-atoms in which the nuclear charge is fractional between silicon and phosphorus, and explicit arrangements employing distinct silicon and phosphorus atoms.(More)
To understand the atomistic doping process of phosphorus in germanium, we present a combined scanning tunneling microscopy, temperature programed desorption, and density functional theory study of the reactions of phosphine with the Ge(001) surface. Combining experimental and theoretical results, we demonstrate that PH(2) + H with a footprint of one Ge(More)
M(2)AX phases are a family of nanolaminate, ternary alloys that are composed of slabs of transition metal carbide or nitride (M(2)X) separated by single atomic layers of a main group element. In this combination, they manifest many of the beneficial properties of both ceramic and metallic compounds, making them attractive for many technological(More)