Ge(100) 2×1 andc(4×2) surface reconstructions studied byab initiototal-energy molecular-force calculations

An all-electron numerical method for solving the local density functional for polyatomic molecules

1990 • 9,669 citations

Explicit local exchange-correlation potentials

1971 • 3,266 citations

Structure and Adsorption Characteristics of Clean Surfaces of Germanium and Silicon

1959 • 873 citations

Si(001) Dimer Structure Observed with Scanning Tunneling Microscopy

1985 • 650 citations

Direct observation of an increase in buckled dimers on Si(001) at low temperature

1992 • 649 citations

Analytic energy derivatives in the numerical local-density-functional approach

1991 • 493 citations

Tunneling microscopy of Ge(001)

1987 • 266 citations

Theory of reconstruction induced subsurface strain — application to Si(100)

1978 • 257 citations

Atomic and electronic contributions to Si(111)-(7×7) scanning-tunneling-microscopy images

1986 • 196 citations

Structural Phase Diagrams for the Surface of a Solid: A Total-Energy, Renormalization-Group Approach

1983 • 185 citations

Surface states and reconstruction on Ge(001)

1985 • 178 citations

Total-energy calculations of semiconductor surface reconstructions

1992 • 172 citations

Ab initiomolecular dynamics on the Ge(100) surface

1987 • 155 citations

Metal-Metal Bonding in Cr-Cr and Mo-Mo Dimers: Another Success of Local Spin-Density Theory

1983 • 152 citations

Chemisorption bonding, site preference, and chain formation at the K/Si(001)2×1interface

1989 • 148 citations

Electronic states of Si(100) reconstructed surfaces

1989 • 140 citations

First-Principles Electronic Structure Theory for Semi-infinite Semiconductors with Applications to Ge(001) (2×1) and Si(001) (2×1)

1986 • 115 citations

Metal-Insulator Transition on the Ge(001) Surface

1984 • 111 citations

Self-consistent electronic structure of semi-infinite Si(001) (2×1) and Ge(001) (2×1) with model calculations for scanning tunneling microscopy

1987 • 102 citations

Surface core-level shifts for clean and halogen-covered Ge(100) and Ge(111)

1985 • 101 citations

LEED, Auger and plasmon studies of negative electron affinity on Si produced by the adsorption of Cs and O

1973 • 94 citations

The Ge(001) (2 × 1) reconstruction: asymmetric dimers and multilayer relaxation observed by grazing incidence X-ray diffraction

1992 • 92 citations

High-order reconstructions of the Ge(100) surface

1988 • 80 citations

Scanning-tunneling-microscopy studies of Ag on Si(100)-(2×1)

1989 • 78 citations

Subsurface strain in the Ge(001) and Ge(111) surfaces and comparison to silicon

1986 • 77 citations

Hydrogenation of semiconductor surfaces: Si and Ge (111)

1988 • 72 citations

Structure of the Si(100)2×1 surface: Total-energy and force analysis of the dimer models

1992 • 67 citations

Structural and electronic properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>84</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>: A first-principles study

1992 • 66 citations

Surface electronic structure of Ge(001)2 × 1: experiment and theory

1990 • 65 citations

Subpicosecond interconversion of buckled and symmetric dimers on Si(100)

1990 • 63 citations

Surface structure of Ge(100) studied by He diffraction

1987 • 62 citations

Sb-induced passivation of the Si(100) surface

1993 • 55 citations

Surface core-level shifts on Ge(100):c(4×2) to 2×1 and 1×1 phase transitions

1992 • 53 citations

Phosphorus-induced relaxation in an iron grain boundary: A cluster-model study

1993 • 50 citations

Order-disorderc(4×2)-(2×1) transition on Ge(001): Anin situx-ray scattering study

1993 • 48 citations

Determination of the Na/Si(100)2×1 surface and interface geometry by polarization-dependent photoemission extended x-ray-absorption fine structure andab initiototal-energy molecular calculations

1993 • 41 citations

Calculated electron distribution for tetrafluoroterephthalonitrile (TFT)

1986 • 41 citations

Ordering transition on the K/Si(001) surface

1991 • 32 citations

Surface relaxation by the keating model: A comparison with ab-initio calculations aind x-ray diffraction experiments

1989 • 30 citations

Structure of Si(001) surfaces. I. The origin of the buckling in the dimer formation on reconstructed surfaces

1991 • 28 citations

Electronic structure and possible mechanism of potassium induced promotion of oxidation of Si(001)2 × 1

1990 • 17 citations

Alkali-metal-induced interface resonant state on a semiconductor surface

1989 • 16 citations

The direct observation of the Ge(001) dimer structure by high resolution UHV transmission electron microscopy

1991 • 13 citations

O2/K/Ge(100) 2 × 1 and O2/Cs/Ge(100) 2 × 1: puzzling behavior of K and Cs in the oxidation of germanium

1993 • 10 citations