flag flag  

Refine your results
By Subject
Condensed Matter - Materials Science (2)
Condensed Matter - Superconductivity (2)
2-D band structure, density functional theory (DFT), double-gate (DG) nano-MOSFETs, electron transport, nonequilibrium Green's functions, HARTREE-FOCK, SILICON, PERFORMANCE (1)
43 K, SUPERCONDUCTIVITY, LAO1-XFXFEAS (1)
AB-INITIO CALCULATIONS, LASER-INDUCED DESORPTION, MAGNESIUM-OXIDE, SINGLE-CRYSTALS, IONIC-CRYSTALS, MGO(100) SURFACES, EXCITED-STATES, EARTH OXIDES, MGO, SITES (1)
AB-INITIO CALCULATIONS, PERIODIC BOUNDARY-CONDITIONS, ALKALI-HALIDES, ELECTRON CORRELATION, EXCITON RELAXATION, NACL, CRYSTALS, CENTERS, SURFACE, HOLE (1)
AB-INITIO, Monte-Carlo Calculations, Oxidising Species, Physics (1)
AB-INITIO, THERMAL-DECOMPOSITION, ELECTRONIC-STRUCTURE, ENERGETIC MATERIALS, 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE, 1,1-DIAMINO-2,2-DINITROETHYLENE, EXPLOSIVES, DENSITY (1)
AB-INITIO, calculation, Condensed Matter and Materials Physics, Monte Carlo, Monte-Carlo Calculations, Oxidising Species, Role, ROLES (1)
ADSORPTION, SIMULATION, SYSTEMS, DEVICES (1)
AFM, construction and use of effective interatomic interactions, insulating films, metal-insulator interfaces, NaCl, surface defects, TUNNELING MICROSCOPE, ATOMIC-RESOLUTION, POINT-CHARGE, MODEL, TIPS, STM, AFM (1)
AFM, insulators, surfaces, modelling, structure, tip-surface interaction, SILICON (111)-(7X7) SURFACE, TOTAL-ENERGY CALCULATIONS, TRUE ATOMIC-RESOLUTION, WAVE BASIS-SET, NC-AFM IMAGES, IONIC SURFACES, PROBE MICROSCOPY, NONCONTACT SFM, TIP, CONTRAST (1)
ALKALI-HALIDE CRYSTALS, ATOMIC-SCALE, VANDERWAALS FORCES, ULTRAHIGH-VACUUM, FRICTION, RESOLUTION, ADHESION, LIQUIDS, MODEL, LIF(100) (1)
ALKALI-HALIDE CRYSTALS, CO OXIDATION, CATALYTIC-ACTIVITY, CARBON-MONOXIDE, GOLD CATALYSTS, CENTERS, STATES, LUMINESCENCE, ABSORPTION, SURFACE (1)
ALKALI-HALIDE CRYSTALS, ELECTRONIC EXCITATION, LATTICE-RELAXATION, IONIC-CRYSTALS, ENERGY, HOLE, NACL, KCL, MGO, ABINITIO (1)
ALKALI-HALIDE CRYSTALS, SELF-TRAPPED HOLE, ELECTRON-TRANSFER, VK CENTER, DEFECTS, MGO, EXCITONS, DYNAMICS, MODEL, NACL (1)
ALKALI-HALIDE CRYSTALS, TIME-RESOLVED SPECTROSCOPY, VIBRATIONAL-RELAXATION, WATER CLUSTERS, FRENKEL-PAIR, CHARGE FLOW, ELECTRON, ABINITIO, DYNAMICS, PHOTODISSOCIATION (1)
ALKALI-HALIDES, DEFECT FORMATION, EXCITATION, EMISSION (1)
ALKALI-HALIDES, ELECTRONIC-STRUCTURE, DEFECT FORMATION, LATTICE-DEFECTS, IONIC-CRYSTALS, SINGLE-CRYSTAL, EXCITATION, DESORPTION, MGO, PARAMETRIZATION (1)
ALKALI-HALIDES, INSULATING SURFACES, DYNAMICS SIMULATION, EQUILIBRIUM SHAPE, KBR(001) SURFACE, NONCONTACT AFM, ADSORPTION, MICROSCOPY, TEMPLATES, DIFFUSION (1)
ALKALI-HALIDES, STIMULATED DESORPTION, EXCITATION, SURFACE, MECHANISM, OZONE (1)
ALKALINE-EARTH OXIDES, 2ND-ORDER PERTURBATION-THEORY, EFFECTIVE CORE POTENTIALS, ELECTRONIC-STRUCTURE, MODEL-CALCULATIONS, MGO SURFACE, MOLECULAR CALCULATIONS, HALIDE CRYSTALS, HARTREE-FOCK, DEFECTS (1)
ALKALINE-EARTH OXIDES, ELECTRONIC-STRUCTURE, MAGNESIUM-OXIDE, IONIC-CRYSTALS, STABILITY, DEFECTS, HALIDES, DYNAMICS (1)
ALKALINE-EARTH OXIDES, ELECTRONIC-STRUCTURE, MGO(001) SURFACE, IONIC-CRYSTALS, DEFECTS, STATES, PARAMETRIZATION, LUMINESCENCE, EXCITATION, SIMULATION (1)
ALKALINE-EARTH OXIDES, MAGNESIUM-OXIDE, AB-INITIO, OXYGEN VACANCIES, PARAMAGNETIC-RESONANCE, EMBEDDED-CLUSTER, RADICAL-ANION, COLOR-CENTERS, F-CENTERS, BULK MGO (1)
ALKALINE-EARTH OXIDES, MAGNESIUM-OXIDE, HYDROXYL-GROUPS, ELECTRON TRAPS, SURFACE-STATES, MGO SURFACE, REFLECTANCE SPECTRA, LOW-COORDINATION, STRONTIUM OXIDE, NANOCRYSTALS (1)
ALKALINE-EARTH OXIDES, MAGNESIUM-OXIDE, STATES, REACTIVITY, VACANCIES, SPECTRA, IONS (1)
AMORPHOUS SILICA, PARAMAGNETIC-RESONANCE, SPECTRAL PROPERTIES, PERIODIC MODEL, HOLE-CENTERS, SIO2, GLASS, ABSORPTION, DENSITY, BAND (1)
ANIONS (1)
ATOMIC FORCE MICROSCOPE, EPITAXIAL-GROWTH, RESOLUTION, SCATTERING, NACL, KBR (1)
ATOMIC-FORCE MICROSCOPY, AB-INITIO CALCULATIONS, ALKALINE-EARTH OXIDES, HIGHLY DISPERSED MGO, MAGNESIUM-OXIDE, SURFACE-STATES, DEFECTS, SITES, ADSORPTION, DEPOSITION (1)
ATOMIC-FORCE MICROSCOPY, COLI RNA-POLYMERASE, POLYELECTROLYTE ADSORPTION, CATIONIC POLYELECTROLYTE, CHARGED SURFACE, MONTE-CARLO, MOLECULES, CHAIN, SPECTROSCOPY, MONOVALENT (1)
ATOMIC-FORCE MICROSCOPY, DISSOCIATIVE ADSORPTION, TITANIUM-DIOXIDE, CARBOXYLATES, TOPOGRAPHY, DIFFUSION, FORMATE, ORIENTATION, EXCHANGE, OXYGEN (1)
ATOMIC-FORCE MICROSCOPY, PERIODIC BOUNDARY-CONDITIONS, TOTAL-ENERGY CALCULATIONS, AB-INITIO CALCULATIONS, AUGMENTED-WAVE METHOD, CAF2 111 SURFACE, CAF2(111) SURFACE, CALCIUM-FLUORIDE, ELECTRONIC-STRUCTURE, SIZE DEFECTS (1)
ATOMIC-FORCE MICROSCOPY, SCANNING TUNNELING MICROSCOPE, DENSITY-FUNCTIONAL THEORY, AB-INITIO, ORGANIC-MOLECULES, INSULATING SURFACES, SINGLE-MOLECULE, ELECTRONIC CONTROL, PHOTON-EMISSION, SI(001) SURFACE (1)
ATOMIC-FORCE MICROSCOPY, TIP, MODEL (1)
ATOMIC-LAYER DEPOSITION, TRIBOLOGICAL PROPERTIES, MICROELECTROMECHANICAL DEVICES, VELOCITY DEPENDENCE, NANOSCALE FRICTION, SILICON-WAFER, FILMS, MEMS, ALLOYS, COATINGS (1)
ATOMIC-RESOLUTION, VANDERWAALS FORCES, SPHERICAL-TIP, DISPERSION, ADHESION, LIF(100), ENERGIES, CRYSTALS, LIQUIDS, IMAGES (1)
ATOMS, Condensed Matter and Materials Physics, DISORDER, ENERGIES, energy, Oxygen, Role (1)
Adatoms, atom-solid interactions, Auger ejection, density functional calculations, electron emission, magnesium oxides, metastable induced electron spectroscopy, surface defects, SCANNING TUNNELING MICROSCOPY, TOTAL-ENERGY CALCULATIONS, AUGER NEUTRALIZATION, DIAGRAM TECHNIQUE, MGO(100) SURFACE, METAL-SURFACES, ALKALI-HALIDES, IONIC SURFACES, COLLISIONS, ABINITIO (1)
Adsorption, single molecule, Co-Salen, NaCl(001), DFT, NC-AFM, ATOMIC-FORCE MICROSCOPY, SCANNING TUNNELING MICROSCOPE, DENSITY-FUNCTIONAL THEORY, OXIDE SURFACES, EXCHANGE, SCALE, MOLECULES, CONTRAST, COBALT, OXYGEN (1)
Amorphous semiconductors, Radiation effects, Density functional theory, Absorption, Silica, Defects, POINT-DEFECTS, DENSITY, STATES, APPROXIMATION, ENERGIES (1)
Atomic Force Microscopy, Condensed Matter and Materials Physics, Force, Microscopy, optical, Properties, Property, recognition, SURFACE (1)
BI-ISONICOTINIC ACID, RUTILE TIO2(110), FORMIC-ACID, DISSOCIATIVE ADSORPTION, ORGANIC-MOLECULES, TIO2, HYDROGEN, DEVICES (1)
BI-ISONICOTINIC ACID, TIO2(110) SURFACE, RUTILE TIO2(110), OXIDE SURFACES, FORMIC-ACID, TIO2, ADSORPTION, SIMULATION, COMPASS, PARAMETERIZATION (1)
BIAS TEMPERATURE INSTABILITY, SILICON DIOXIDE FILMS, SELF-TRAPPED EXCITON, SWITCHING BEHAVIOR, DEFECT GENERATION, INTERFACE STATES, POINT-DEFECTS, BAND OFFSETS, GATE OXIDE, OXIDATION (1)
CALCIUM ALUMINATE GLASSES, OXYGEN RADICALS, MICROPOROUS CRYSTAL, HYDRIDE ION, 12CAO.7AL2O3, CA12AL14O33, O-2(-), OXIDE, DISORDER, ELECTRONS (1)
CALCIUM-FLUORIDE CRYSTALS, ALKALINE EARTH FLUORIDES, WHITE-LIGHT CONTINUUM, ELECTRONIC-STRUCTURE, OPTICAL-PROPERTIES, THERMAL DEPOLARIZATION, VACANCY CENTERS, IONIC-CRYSTALS, COLOR-CENTERS, LASER-DAMAGE (1)
CENTERS, GLASS, ULTRAVIOLET, HYDROGEN, FIELDS, SIO2 (1)
CHAIN-LENGTH DEPENDENCE, FUNCTIONALIZED ALKANETHIOLS, C(4X2) SUPERLATTICE, PHASE-TRANSITIONS, ORGANIC-SURFACES, AU(111), ORIENTATION, SIMULATION, MICROSCOPY, MOLECULE (1)
CHALLENGE, computer, DEFECT, DEFECTS, modelling, OXIDE, oxides (1)
CONDUCTIVITY, OXIDE (1)
CRYSTAL, SURFACE, METALS (1)
Colossal magnetoresistance (CMR), localised holes, polaron key energies (1)
Condensed Matter (1)
Condensed Matter - Other Condensed Matter (1)
Condensed Matter - Strongly Correlated Electrons (1)
Condensed Matter and Materials Physics, CRYSTAL, crystals, dynamic, DYNAMICS, localization, model, Molecular, Molecular Dynamics, MOLECULAR-DYNAMICS, thermal (1)
Condensed Matter and Materials Physics, Force, formation, RESOLUTION, spectroscopy (1)
Condensed Matter and Materials Physics, imaging, modelling, Problems (1)
Condensed Matter and Materials Physics, modelling, SURFACE, theoretical (1)
DEFECTS, Force, Physics, PREDICTION, PREDICTIONS, spectroscopy, Structure, SURFACE, Surface defects (1)
DENSITY-FUNCTIONAL THEORY, ENERGETIC MATERIALS, EXPLOSIVE DECOMPOSITION, ELECTRONIC EXCITATIONS, THERMAL-DECOMPOSITION, AB-INITIO, MECHANISM, CRYSTALS, TATB, 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE (1)
DENSITY-FUNCTIONAL THEORY, EQUATION-OF-STATE, AB-INITIO, ELECTRONIC-STRUCTURE, HYDROGEN-TRANSFER, SOLIDS, 1,1-DIAMINO-2,2-DINITROETHYLENE, DECOMPOSITION, POLYETHYLENE, COMPRESSION (1)
DENSITY-FUNCTIONAL THEORY, MGO SURFACE, MGO(001) SURFACE, POLYCRYSTALLINE MGO, MGO(100) SURFACE, OXYGEN VACANCIES, CHARGE-TRANSFER, OXIDE SURFACES, DEFECT SITES, IONIC OXIDE (1)
DEPOSITED HAFNIUM OXIDE, ELECTRON-SPIN-RESONANCE, AB-INITIO, AMORPHOUS SILICA, BAND ALIGNMENT, GATE OXIDES, DEFECTS, CENTERS, SI, CHEMISTRY (1)
DNA, adsorption, charged surfaces, mean-field theory, FORCE MICROSCOPY, MICA SURFACES, DNA, MONOVALENT, ADSORPTION, SUBSTRATE, DYNAMICS, IONS, ROD (1)
DYNAMIC-FORCE MICROSCOPY, COORDINATED SURFACE SITES, IONIC SURFACES, TIP, RESOLUTION, MGO, CONTRAST, SAMPLE, FILMS, AFM (1)
DYNAMIC-FORCE MICROSCOPY, ELECTRON-EMISSION MICROSCOPY, TIP-SURFACE INTERACTIONS, TRANSFER-HAMILTONIAN FORMALISM, SILICON (111)-(7X7) SURFACE, TUNNELING-MICROSCOPY, IONIC SURFACES, LOW-TEMPERATURES, ULTRAHIGH-VACUUM, SI(001) SURFACE (1)
E ' center, electrical level, Hartree-Fock, hyper-fine parameters, radiation-induced defects, silicon dioxide, ALKALI HALIDE CRYSTALS, AB-INITIO CALCULATIONS, HYPERFINE PARAMETERS, OPTICAL-TRANSITIONS, LATTICE DYNAMICS, SILICON DIOXIDE, OXYGEN VACANCY, ALPHA-QUARTZ, DOPED SILICA, HIGH-PURITY (1)
EFFECTIVE CORE POTENTIALS, AB-INITIO CALCULATIONS, MOLECULAR-DYNAMICS, CRYSTAL 12CAO-CENTER-DOT-7AL(2)O(3), MICROPOROUS CRYSTAL, SURFACE-DIFFUSION, DENSITY, SIMULATION, RADICALS, EXCHANGE (1)
EFFECTIVE CORE POTENTIALS, ALKALI-HALIDE CRYSTALS, MOLECULAR CALCULATIONS, TRANSIENT ABSORPTION, LATTICE-DEFECTS, ABINITIO, CREATION, MODEL, KCL (1)
EFFECTIVE CORE POTENTIALS, ALKALINE-EARTH OXIDES, CALCIUM-OXIDE, MOLECULAR CALCULATIONS, STIMULATED DESORPTION, SURFACE EXCITATION, IONIC SURFACES, ELECTRON TRAPS, MGO, CRYSTALS (1)
EFFECTIVE CORE POTENTIALS, AUGMENTED-WAVE METHOD, MGO SURFACE, CRYSTAL 12CAO-CENTER-DOT-7AL(2)O(3), MOLECULAR CALCULATIONS, MICROPOROUS CRYSTAL, HYDRIDE ION, OXIDE, ADSORPTION, ZEOLITES (1)
EFFECTIVE CORE POTENTIALS, CRYSTAL 12CAO-CENTER-DOT-7AL(2)O(3), MOLECULAR CALCULATIONS, MICROPOROUS CRYSTAL, DENSITY, ION, RADICALS, GAS (1)
EFFECTIVE CORE POTENTIALS, IONIC SURFACES, MOLECULAR CALCULATIONS, MGO, SPECTROSCOPY, LUMINESCENCE, RESONANCE, ENERGIES, CONTRAST, MODEL (1)
ELECTRON TRAPS, AB-INITIO, MAGNESIUM-OXIDE, DEFECT CENTERS, COLOR-CENTERS, EARTH OXIDES, DENSITY, ANIONS, NANOPARTICLES, VACANCIES (1)
ELECTRON-PARAMAGNETIC RESONANCE, SIMULATION, IONS (1)
ELECTRON-PARAMAGNETIC-RESONANCE, ALKALI-HALIDE CRYSTALS, TRIPLET-STATE, E'-CENTERS, OPTICAL-ABSORPTION, DEFECT FORMATION, SIO2, DENSITY, SIMULATION, EXCITATION (1)
ELECTRON-PARAMAGNETIC-RESONANCE, MOLECULAR-ORBITAL METHODS, ALPHA-QUARTZ, OPTICAL-ABSORPTION, CRYSTALLINE SIO2, OXYGEN VACANCIES, IRRADIATED QUARTZ, TRAPPED ELECTRONS, POINT-DEFECTS, E1 CENTER (1)
ELECTRON-PARAMAGNETIC-RESONANCE, POINT-DEFECTS, E'-CENTERS, IRRADIATION, GLASSES, SIO2, SIMULATION, CRYSTALS, DIOXIDE, OXIDES (1)
ELECTRON-SPIN-RESONANCE, ALKALINE-EARTH FLUORIDES, HAFNIUM OXIDE, DIELECTRIC-PROPERTIES, SLOW-ELECTRONS, GATE OXIDES, AB-INITIO, VK CENTER, MODEL, HOLES (1)
ELECTRON-STIMULATED DESORPTION, ALKALI-HALIDE SURFACES, AB-INITIO CALCULATIONS, EMISSION, CRYSTALS, EXCITON, MOLECULES, ENERGIES, ATOMS, PHOTODESORPTION (1)
ELECTRONIC-STRUCTURE CALCULATIONS, 1ST-PRINCIPLES IONICITY SCALES, DEFECT STRUCTURE, MOLECULAR CALCULATIONS, TETRAGONAL ZIRCONIA, ROOM-TEMPERATURE, CHEMICAL-BOND, SOLID-STATE, TRANSITION, OXIDE (1)
ELECTRONIC-STRUCTURE CALCULATIONS, QUANTUM-CHEMICAL SIMULATION, ABINITIO HARTREE-FOCK, VALENCE BASIS-SETS, MAGNESIUM-OXIDE, HYDROGEN ADSORPTION, ADSORBED MOLECULES, ORBITAL METHODS, POINT-DEFECTS, H-2 (1)
ELECTRONIC-STRUCTURE, CLUSTERS, AGCL, HOLE, LOCALIZATION, SOLVATION, EXCITONS, DYNAMICS, HALIDES (1)
ELECTRONIC-STRUCTURE, DOUBLE-EXCHANGE, CONDUCTIVITY, LA1-XSRXMNO3, OXIDES, FILMS, PEROVSKITES, TRANSPORT, SPECTRA, SOLIDS (1)
ELECTRONIC-STRUCTURE, IONIC SURFACES, OPTICAL-PROPERTIES, REACTIVE SURFACES, AB-INITIO, ALPHA-AL2O3(0001), MODEL, SPECTROSCOPY, RELAXATION, STATES (1)
ELECTRONIC-STRUCTURE, IONIC-CRYSTAL, WATER-ADSORPTION, MOLECULAR-MODELS, MICROSCOPY, SURFACES, TIP, MGO, SPECTROSCOPY, ABINITIO (1)
ELECTRONIC-STRUCTURE, MICROPOROUS CRYSTAL, BAND-GAPS, INORGANIC ELECTRIDE, F-CENTERS, DENSITY, ANIONS, TRANSITION, SODALITE, STATE (1)
EXCIMER-LASER RADIATION, ALKALINE-EARTH OXIDES, GAP SINGLE-CRYSTALS, MAGNESIUM-OXIDE, STATES, EXCITATION, SPECTRA, POWDERS, SITES, FILMS (1)
EXCITON, NACL (1)
FEMTOSECOND LASER-PULSES, QUANTUM MOLECULAR-DYNAMICS, WAVE-PACKET DYNAMICS, CHEMICAL-REACTIONS, MULTIPHOTON IONIZATION, SCHRODINGER-EQUATION, DIATOMIC-MOLECULES, PHASE, PHOTODISSOCIATION, SYSTEMS (1)
FIELD-EFFECT TRANSISTORS, MOLECULAR-DYNAMICS, SINGLE-MOLECULE, AB-INITIO, SURFACE, INJECTION, ELECTRODE, AU(111), DEPOLARIZATION, POTENTIALS (1)
FIELD-EFFECT TRANSISTORS, PI-CONJUGATED MOLECULES, SURFACE DIPOLES, SINGLE-MOLECULE, WORK-FUNCTIONS, AB-INITIO, AU(111), POTENTIALS, ELECTRODE, INJECTION (1)
FIRST-PRINCIPLES, AB-INITIO, HYPERFINE PARAMETERS, OPTICAL-TRANSITIONS, SILICON DIOXIDE, OXYGEN VACANCY, ALPHA-QUARTZ, DOPED SILICA, HIGH-PURITY, CENTERS (1)
FLUCTUATIONS, MOSFETS (1)
FORCE MICROSCOPE IMAGES, ELECTRONIC-STRUCTURE, MOLECULAR-MODELS, DEFECT ENERGIES, CRYSTALS, MGO, RESOLUTION, SIMULATION, ABINITIO, SOLIDS (1)
FORCE MICROSCOPY (1)
FORCE MICROSCOPY, AQUEOUS-SOLUTION, MOLECULAR-DYNAMICS, LIQUID-ENVIRONMENT, MODEL, PSEUDOPOTENTIALS, CALCITE, ENERGY (1)
By Contributor
By Publisher
By Document Language
By Document Type
By Repositories
New Search Save Search
Save this search...
Refine Search
Results
author = "SHLUGER, A"
1 2 3 4 5 > >>

Found 317 documents, displaying page 1 of 32

APPLICATION OF MOLECULAR-MODELS TO ELECTRONIC-STRUCTURE CALCULATIONS OF DEFECTS IN OXIDE CRYSTALS .1. PARAMETRIZATION OF THE MODIFIED INDO METHOD

Author(s) : SHLUGER, A
Description :
Repository : UCL Eprints
Language(s) : Undetermined

ON THE NONEQUIVALENCY OF SI-O BONDS IN SILICON DIOXIDE

Author(s) : SHLUGER, A
Description :
Repository : UCL Eprints
Language(s) : Undetermined

Controlling electron transfer processes on insulating surfaces with the non-contact atomic force microscope

Author(s) : Trevethan, T , Shluger, A
Description : We present the results of theoretical modelling that predicts how a process of transfer of single electrons between two defects on an insulating surface can be induced using a scanning force microscope tip. A model but realistic system is employed which consists of a neutral oxygen vacancy and a nob...
Repository : UCL Eprints
Language(s) : Undetermined

THE MODEL OF A TRIPLET SELF-TRAPPED EXCITON IN CRYSTALLINE SIO2

Author(s) : SHLUGER, AL
Description :
Repository : UCL Eprints
Language(s) : Undetermined

Microscopy - Atomic fingerprinting

Author(s) : Shluger, A , Trevethan, T
Description :
Repository : UCL Eprints
Language(s) : Undetermined

Modeling the Diffusive Motion of Large Organic Molecules on Insulating Surfaces

Author(s) : Trevethan, T , Shluger, AL
Description : We show that the overall structure and flexibility of an organic molecule has a profound effect on the mechanism of diffusion and the effective diffusion rate on a surface. Calculations were performed to model the diffusion of a set of large organic molecules with polar binding groups on the perfect...
Repository : UCL Eprints
Language(s) : Undetermined

Building blocks for molecular devices: Organic molecules on the MgO (001) surface

Author(s) : Trevethan, T , Shluger, AL
Description : The interaction of hydrocarbon and basic polar organic molecules with the MgO (001) surface has been theoretically studied using an embedded cluster model and hybrid density functional. It is found that both methane and benzene molecules do not bind strongly with the perfect surface and will not be ...
Repository : UCL Eprints
Language(s) : Undetermined

Spin-contrast in non-contact SFM on oxide surfaces: theoretical modelling of NiO(001) surface

Author(s) : Foster, AS , Shluger, AL
Description : Low-temperature non-contact scanning force microscopy (NC-SFM) is now being used to try and measure the exchange force with metal tips on magnetic oxide surfaces. This demanding test of NC-SFM has yet to prove successful and therefore it is important to use a theoretical model to predict the magnitu...
Repository : UCL Eprints
Language(s) : Undetermined

QUANTUM-CHEMICAL SIMULATION OF FRENKEL PAIRS SEPARATION IN A LIF CRYSTAL

Author(s) : KOTOMIN, E , SHLUGER, A
Description :
Repository : UCL Eprints
Language(s) : Undetermined

APPLICATION OF MOLECULAR-MODELS TO ELECTRONIC-STRUCTURE CALCULATIONS OF DEFECTS IN OXIDE CRYSTALS .1. STRUCTURAL MODEL FOR SILICON DIOXIDE

Author(s) : GEISSER, C , SHLUGER, A
Description :
Repository : UCL Eprints
Language(s) : Undetermined
1 2 3 4 5 > >>

Found 317 documents, displaying page 1 of 32