Keywords: آرامسازی و بازسازی سطح; Second nearest-neighbor modified embedded atom method; Genetic algorithm; Silicon; Surface relaxation and reconstruction; Stacking faults
مقالات ISI آرامسازی و بازسازی سطح (ترجمه نشده)
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The process of dissociative adsorption of fluorine on Ge(001) surface
Keywords: آرامسازی و بازسازی سطح; Germanium; Fluorine; Adsorption; Dissociation; Surface relaxation and reconstruction; Density functional calculations;
A surface X-ray diffraction study of TiO2(1Â 1Â 0)(3Â ÃÂ 1)-S
Keywords: آرامسازی و بازسازی سطح; X-ray scattering, diffraction, and reflection; Chemisorption; Surface relaxation and reconstruction; Titanium oxide; Sulphur; Low index single crystal surfaces;
The process of dissociation of Cl2 molecule on the Ge(0Â 0Â 1)-p(1Â ÃÂ 2) surface
Keywords: آرامسازی و بازسازی سطح; Germanium; Chlorine; Adsorption; Dissociation; Surface relaxation and reconstruction; Density functional calculations;
Electronic and energetic properties of Ge(110) pentagons
Keywords: آرامسازی و بازسازی سطح; Scanning tunneling microscopy; Germanium; Low index single crystal surfaces; Scanning tunneling spectroscopy; Surface relaxation and reconstruction; Semiconducting surfaces;
Structural and electronic properties of the Co-induced Si(111) 13Ã13âR13.9° surface reconstruction
Keywords: آرامسازی و بازسازی سطح; Surface relaxation and reconstruction; Density functional calculations; Scanning Tunneling Microscopy; Silicon; Cobalt;
Formation of a missing row reconstruction on a Cu(100) surface: An atom scale density functional theory based study
Keywords: آرامسازی و بازسازی سطح; Density functional calculations; Oxidation; Adsorption; Surface relaxation and reconstruction; Copper; Oxygen; Single crystal surfaces;
Second harmonic response of the Si(111)7Â ÃÂ 7 surface
Keywords: آرامسازی و بازسازی سطح; Second harmonic generation; Semi-empirical models and model calculations; Semiconducting surfaces; Surface relaxation and reconstruction; Second harmonic generation methods;
Step bunching and step “rotation” in homoepitaxial growth of Si on Si(110)-16Â ÃÂ 2
Keywords: آرامسازی و بازسازی سطح; Monte Carlo simulations; Models of surface kinetics; Molecular beam epitaxy; Step formation and bunching; Surface diffusion; Surface relaxation and reconstruction; Silicon; Vicinal single crystal surfaces;
Theoretical study of the (110) surface of Sn1Â -Â xTixO2 solid solutions with different distribution and content of Ti
Keywords: آرامسازی و بازسازی سطح; Density functional calculations; Tin oxides; Titanium oxide; Surface relaxation and reconstruction; Surface energy; Low index single crystal surfaces; Semiconducting surfaces; Surface structure morphology;
Structural relaxation and metal-insulator transition at the interface between SrTiO3 and LaAlO3
Keywords: آرامسازی و بازسازی سطح; Density functional calculations; Surface relaxation and reconstruction; Surface electronic phenomena; Titanium oxide; Aluminum oxide; Semiconductor-semiconductor interfaces; Metal-insulator interfaces;
Adsorption of sulfur on Ag(100)
Keywords: آرامسازی و بازسازی سطح; Sulphides; Surface relaxation and reconstruction; Density functional calculations;
Strain engineering tunable nanotemplates on the Cu(110)-(2Â ÃÂ 1)-O surface
Keywords: آرامسازی و بازسازی سطح; Self-assembly; Surface tension; Surface relaxation and reconstruction; Low index single crystal surfaces; Chemisorption; Scanning tunneling microscopy;
Low-coverage alkali metal adsorption on the Ge(0Â 0Â 1)-p(1Ã2) surface
Keywords: آرامسازی و بازسازی سطح; Germanium; Alkali metals; Adsorption; Surface relaxation and reconstruction; DFT calculations; STM simulation;
STM studies on the reconstruction of the Ni2P (101Ì
0) surface
Keywords: آرامسازی و بازسازی سطح; Nickel phosphide; Scanning tunneling microscopy; Surface relaxation and reconstruction; Density functional calculations; Low index single crystal surfaces;
Geometry of the Au(1Â 1Â 0)-(1Â ÃÂ 2) missing-row clean surface: A New LEED and DFT study
Keywords: آرامسازی و بازسازی سطح; Gold(1Â 1Â 0); LEED; Missing row; Surface relaxation and reconstruction; Single crystal; Metal surfaces;
Near-degenerate stereomorphs of the doubly-chiral hcp-{213Ì
1} surface
Keywords: آرامسازی و بازسازی سطح; Density functional calculations; Surface energy; Surface relaxation and reconstruction; Surface structure, morphology, roughness, and topography; Cobalt; Rhenium; Ruthenium; High index single crystal surfaces;
Adsorption of thin films of titanium on tungsten (111) surface
Keywords: آرامسازی و بازسازی سطح; Tungsten; Titanium; Adsorption; Surface relaxation and reconstruction; Density-functional calculations;
Computational study of the adsorption of dimethyl methylphosphonate (DMMP) on the (0Â 1Â 0) surface of anatase TiO2 with and without faceting
Keywords: آرامسازی و بازسازی سطح; Density functional calculations; Chemisorption; Surface relaxation and reconstruction; Titanium dioxide; Single-crystal surfaces;
Fluorine, chlorine and iodine adsorption on the Ge(0Â 0Â 1) surface: Comparative study for the coverage of 0.75 and 1 monolayer
Keywords: آرامسازی و بازسازی سطح; Germanium; Fluorine; Chlorine; Iodine; Adsorption; Surface relaxation and reconstruction; Density functional calculations; STM images;
Hybrid HF-DFT modeling of monolayer water adsorption on (001) surface of cubic BaHfO3 and BaZrO3 crystals
Keywords: آرامسازی و بازسازی سطح; Perovskites; Low index single crystal surfaces; Surface relaxation and reconstruction; Water adsorption; Water dissociation; Hybrid HF-DFT calculations;
Step interactions on Pt(111) vicinal surfaces determined by grazing incidence X-ray diffraction: Influence of the step orientation
Keywords: آرامسازی و بازسازی سطح; X-ray scattering, diffraction, and reflection; Surface energy; Surface relaxation and reconstruction; Surface stress; Platinum;
Structural and electronic properties of group III Rich In0.53Ga0.47As(001)
Keywords: آرامسازی و بازسازی سطح; Density functional calculations; Scanning tunneling microscopy; Scanning tunneling spectroscopies; Semiconducting surfaces; Surface relaxation and reconstruction; Indium gallium arsenide; Bader charge;
Determining the GaSb/GaAs-(2Â ÃÂ 8) reconstruction
Keywords: آرامسازی و بازسازی سطح; Surface relaxation and reconstruction; Density functional calculations; Molecular beam epitaxy;
Surface reconstruction of clean bcc-Fe{1Â 1Â 0}: A quasi-hexagonal top-layer with periodic height modulation
Keywords: آرامسازی و بازسازی سطح; Surface relaxation and reconstruction; Iron; Whiskers; Single crystal surfaces; Magnetic surfaces; Phase transition; Surface structure, morphology, roughness, and topography; Scanning tunneling microscopy;
Reconstruction on Au(0 0 1) vicinal surfaces in UHV and in sulfuric acid solution
Keywords: آرامسازی و بازسازی سطح; Gold; Vicinal single crystal surfaces; Metal-electrolyte interfaces; Metallic surfaces; Surface relaxation and reconstruction;
An effective Hamiltonian for sulfur adsorption at Au(1 0 0) surface
Keywords: آرامسازی و بازسازی سطح; Density functional calculations; Ising models; Atom-solid interactions; Chemisorption; Surface diffusion; Surface relaxation and reconstruction; Vibrations of adsorbed molecules; Gold;
Ge(5 Ã 5) as a wetting layer on Si(1 1 1)
Keywords: آرامسازی و بازسازی سطح; Surface relaxation and reconstruction; Silicon-germanium; Density functional calculations; Semiconductor-semiconductor interfaces;
Growth mode and novel structure of ultra-thin KCl layers on the Si(1Â 0Â 0)-2Â ÃÂ 1 surface
Keywords: آرامسازی و بازسازی سطح; Alkali halides; Silicon vgermanium; Scanning tunneling microscopy; Synchrotron radiation photoelectron spectroscopy; Epitaxy; Surface relaxation and reconstruction; Thin film structures; Semiconductor - insulator interfaces;
Anomalous hybridization in the In-rich InAs(0Â 0Â 1) reconstruction
Keywords: آرامسازی و بازسازی سطح; Density functional calculations; Scanning tunneling microscopy; Indium arsenide; Semiconducting surfaces; Surface relaxation and reconstruction;
First-principles studies of the oxygen adsorption on unreconstructed and reconstructed Ni(1Â 1Â 0) surfaces
Keywords: آرامسازی و بازسازی سطح; Density functional calculations; Chemisorption; Surface relaxation and reconstruction; Magnetic surfaces;
Ordered structures of tin-adsorbed Cu(0 0 1) surfaces with over 12 monolayer coverage
Keywords: آرامسازی و بازسازی سطح; Scanning tunneling microscopy; Surface relaxation and reconstruction; Copper; Tin;
Ca induced reconstructions of the Si(0 0 1) surface
Keywords: آرامسازی و بازسازی سطح; Scanning tunneling microscopy; Silicon; Alkaline earth metals; Surface relaxation and reconstruction; Growth;
Structural and electronic properties of the Ti/W(1Â 1Â 1) adsorption system
Keywords: آرامسازی و بازسازی سطح; Tungsten; Titanium; Adsorption; Surface relaxation and reconstruction; Photofield emission; Density functional calculations;
Observation of a (â3 Ã â3)R30° reconstruction on O-polar ZnO surfaces
Keywords: آرامسازی و بازسازی سطح; Low energy electron diffraction; X-ray photoelectron spectroscopy; Interface dipole; Surface relaxation and reconstruction; Zinc oxide; Low index single crystal surfaces; Semiconducting surfaces;
Silicon adatom chains and one-dimensionally confined electrons on 4H-SiC(11¯02): The (2 Ã 1) reconstruction
Keywords: آرامسازی و بازسازی سطح; Low energy electron diffraction (LEED); Angle resolved photoemission; Scanning tunneling microscopy; Surface relaxation and reconstruction; Surface electronic phenomena (work function, surface potential, surface states, etc.); Silicon carbide; Single crys
Surface preparation and characterization of single crystalline β-FeSi2
Keywords: آرامسازی و بازسازی سطح; Scanning tunneling microscopy; Surface relaxation and reconstruction; Ironsilicide; Low index; Single crystal surfaces;
Oxygen adsorption on Zr(0Â 0Â 0Â 1) surfaces: Density functional calculations and a multiple-layer adsorption model
Keywords: آرامسازی و بازسازی سطح; Density functional calculations; Adsorption; Surface relaxation and reconstruction; Zirconium;
Simulations of iodine adsorbed Ge(0 0 1) surface and its STM images
Keywords: آرامسازی و بازسازی سطح; Germanium; Density functional calculations; Surface relaxation and reconstruction; Adsorption; STM images;
Surface reconstruction of MoS2 to Mo2S3
Keywords: آرامسازی و بازسازی سطح; Ab initio quantum chemical methods and calculations; Density functional calculations; Scanning tunneling microscopy; Electron transport; Phase transition; Surface relaxation and reconstruction;
The structure and lattice dynamics of RbBr(1Â 0Â 0) and RbI(1Â 0Â 0) single crystal surfaces: A tensor low energy electron diffraction analysis
Keywords: آرامسازی و بازسازی سطح; Alkali halides; Low energy electron diffraction (LEED); Low index single crystal surfaces; Surface relaxation and reconstruction; Vibrational amplitudes;
The Na-adsorbed Ge(0Â 0Â 1) surface: Structure and STM image simulations
Keywords: آرامسازی و بازسازی سطح; Germanium; Alkali metals; Adsorption; Density functional calculations; Surface relaxation and reconstruction;
DFT study of reconstructed Cu(1Â 0Â 0) surface with high oxygen coverages
Keywords: آرامسازی و بازسازی سطح; Density functional calculations; Oxidation; Adsorption; Surface relaxation and reconstruction; Copper; Oxygen; Single crystal surfaces;
Study of oxidized Cu(1Â 1Â 0) surface using noncontact atomic force microscopy
Keywords: آرامسازی و بازسازی سطح; Atomic force microscopy; Surface relaxation and reconstruction; Surface structure; morphology, roughness, and topography; Oxidation; Copper; Oxides; Oxygen; Insulating surfaces;
Low temperature phases of Pb/Si(1 1 1) and related surfaces
Keywords: آرامسازی و بازسازی سطح; Density functional calculations; Surface relaxation and reconstruction; Silicon;
Surface relaxation and tilting in SrHfO3 orthorhombic perovskite: Hybrid HF-DFT LCAO calculations
Keywords: آرامسازی و بازسازی سطح; Hybrid HF-DFT calculations; Low index single crystal surfaces; Surface energy; Surface relaxation and reconstruction; Octahedral tilting; Perovskites; Strontium hafnate;
Electronic structure studies of a clock-reconstructed Al/Pd(1Â 0Â 0) surface alloy
Keywords: آرامسازی و بازسازی سطح; Aluminum; Alloys; Palladium; Surface relaxation and reconstruction; Surface electronic phenomena; Approximate methods and calculations;
Electronic and atomic structure of the 4H-SiC(11¯02)-c(2Ã2) surface
Keywords: آرامسازی و بازسازی سطح; Silicon carbide; Atomic structure; Surface relaxation and reconstruction; Single crystal surfaces; Semiconducting surfaces; Photoelectron spectroscopy; Scanning tunneling microscopy; Low-energy electron diffraction (LEED);
Structural studies of sub monolayer Sn/Cu(0 0 1) structures
Keywords: آرامسازی و بازسازی سطح; Atom-solid scattering and diffraction-elastic; Scanning tunneling microscopy; Surface relaxation and reconstruction; Surface stress; Surface structure, morphology, roughness, and topography; Copper; Tin; Adatoms;
A reactive force field (ReaxFF) for zinc oxide
Keywords: آرامسازی و بازسازی سطح; Zinc oxide; Construction and use of effective interatomic interactions; Molecular dynamics; Density-functional calculations; Surface relaxation and reconstruction; Surface energy;