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author = "SHLUGER, A"

Found 317 documents, displaying page 4 of 32

THE CALCULATION OF THE SELF-TRAPPING ENERGY IN CRYSTALS WITH MIXED-VALENCE BAND

Author(s) : HEIFETS, EN , SHLUGER, AL
Description : We present a method of calculation of the localization energy of the hole in the crystal in which the density of states in the valence band has comparable contributions from both cation and anion states. The method is applied to the study of hole self-trapping in AgCl. The quantum-chemical simulatio...
Repository : UCL Eprints
Language(s) : Undetermined

Does AFM really see atoms at the surface?

Author(s) : Shluger, A , Livshits, A , Rohl, A
Description : Theoretical models of the tip-surface interaction and of AFM imaging of ionic surfaces are considered, and some possible applications of the AFM to defect studies are discussed.
Repository : UCL Eprints
Language(s) : Undetermined

Impurity and Defect States in Insulators

Author(s) : Stoneham, AM , Shluger, AL
Description :
Repository : UCL Eprints
Language(s) : Undetermined

Mechanism of Contrast Formation in Atomic Force Microscopy in Water

Author(s) : Watkins, M , Shluger, AL
Description : We use computer modeling to investigate the mechanism of atomic-scale corrugation in frequency-modulation atomic force microscopy imaging of inorganic surfaces in solution. Molecular dynamics simulations demonstrate that the forces acting on a microscope tip result from the direct interaction betwee...
Repository : UCL Eprints
Language(s) : Undetermined

Manipulation of defects on oxide surfaces via barrier reduction induced by atomic force microscope tips

Author(s) : Watkins, MB , Shluger, AL
Description : We used theoretical modeling to propose possible mechanisms of defect manipulation using a noncontact atomic force microscope (NC-AFM) on a generic oxide, MgO. First, we simulated NC-AFM images of a Ca substitutional defect on the MgO surface aiming to help identify a site where tip polarity could b...
Repository : UCL Eprints
Language(s) : Undetermined

An effect of thermal disorder on the electronic structure of MgO

Author(s) : Gavartin, JL , Shluger, AL
Description : We have studied an effect of thermal disorder on the electronic structure of MgO using a combination of classical molecular dynamic simulations at different temperatures with static quantum-chemical calculations of snapshot atomic configurations. The results demonstrate that thermal fluctuations of ...
Repository : UCL Eprints
Language(s) : Undetermined

Found 317 documents, displaying page 4 of 32