Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
Results
Showing 1 to 9 of 9 for “"Monovacancy"”.
-
The effect of high pressure on the thermoelectric power and resistance of aluminum and gold
… with three thermally activated defects: the monovacancy, the divacancy, and the impurityvacancy pair. Values for the formation energy and the volume are obtained for each of these defects. The effect of vacancies in gold is dominated by the effect of pressure on the lattice so that no …
-
Formation and dynamics of defects in pure and ion implanted a-titanium studied by quantum simulations
… krypton atom in h.c.p Ti. The calculated monovacancy formation energy is 1.97eV, which is in excellent agreement with other theoretical calculations, and agrees qualitatively with published experimental results.
-
Equilibrium vacancy concentration measurements and thermal properties of solid krypton
… by n = exp[(2.0 ± 0.5) - (895 ± 1000K)/T]. The monovacancy formation enthalpy and entropy is discussed and compared with other existing theoretical and experimental information on argon and krypton. It appears that the enthalpy of formation for the monovacancy in krypton may not be entirely …
-
Construction of first-principles density functional approximations and their applications to materials
… Depletion of the charge density, such as near a monovacancy in platinum, is shown to produce a turning surface. Further, this work demonstrates why generalized gradient approximations (GGAs) are often able to describe some properties of sp-bonded narrow-gap insulators well. A Laplacian-level …
-
Diffusion and the thermal stability of amorphous copper-zirconium
… metal is presumably quite different from the monovacancy mechanism dominant in the crystalline solid. The pre-exponential terms are found to be extremely small, on the order of 10-10 to 10-11 cm2/sec for Ag diffusion. This indicates that diffusion in amorphous Cu50Zr 50 may involve an extended …
-
Sources of thermally generated vacancies in single-crystal and polycrystalline gold
… present study since: (1) the high temperature monovacancy diffusion coefficient and equilibrium concentration are known (Simmons and Balluffi, 1962), (2) the specimens are readily thinned for observation by transmission electron microscopy, (3) previous kinetic studies are available for a …
-
Energy density method and its applications to defect energies
… The energy density perturbation around Si monovacancy reveals the strong energy concentration on \{110\} planar zigzag chains. The O interstitial in the hexagonal-close-packed Ti crystal demonstrates a Friedel oscillation in both charge density and energy density. In particular we study the …
-
Pt and Pt-Pd cluster interaction with graphene and TiO₂ based supports: A DFT study
… considered on graphene based supports are monovacancy defective graphene, OH and COOH functionalised graphene. The defects considered on TiO₂ based supports are a partially reduced TiO₂(110) surface with a surface oxygen bridge vacancy and hydroxylated TiO₂(110) surface with surface OH …
-
Quantum Information Processing with Color Center Qubits: Theory of Initialization and Robust Control
Quantum information technologies include secure quantum communications and ultra precise quantum sensing that are significantly more efficient than their classical counterparts. To enable such technologies, we need a scalable quantum platform in which qubits are con trollable. Color centers provide …