Abinitiodetermination of the structure of a grain boundary by simulated quenching

Special points for Brillouin-zone integrations

1976 • 61,084 citations

Self-interaction correction to density-functional approximations for many-electron systems

1981 • 19,782 citations

Unified Approach for Molecular Dynamics and Density-Functional Theory

1985 • 10,277 citations

Grain boundaries in semiconductors

1985 • 404 citations

Defects in Amorphous Silicon: A New Perspective

1986 • 313 citations

Molecular Dynamics andab initioTotal Energy Calculations

1986 • 248 citations

Lattice imaging of a grain boundary in crystalline germanium

1977 • 168 citations

The structure of high-angle (001) CSL twist boundaries in f.c.c. metals

1978 • 127 citations

Local pseudopotential theory for transition metals

1977 • 121 citations

Theoretical study of stacking faults in silicon

1985 • 120 citations

Electronic and Structural Properties of a Twin Boundary in Si

1986 • 112 citations

Theoretical study of the electronic structure of a high-angle tilt grain boundary in Si

1984 • 91 citations

Structural and electronic properties of the Al-GaAs(110) interface

1986 • 74 citations

Atomic structure of grain boundaries in semiconductors studied by electron microscopy (analogy and difference with surfaces)

1985 • 66 citations

Grain-boundary structure

1984 • 62 citations

Partial secondary dislocations in germanium grain boundaries

1981 • 58 citations

Computer-based microscopic description of the structure and properties of materials

1986 • 54 citations

Structure of the σ = 9,11 symmetrical tilt grain boundaries in germanium Electron microscopy observations

1984 • 41 citations

Study of ∊ = 5 (1<ovl>3</ovl>0) symmetrical tilt boundary structure in germanium

1985 • 40 citations

Grain-boundary energies in metals from local-electron-density distributions

1986 • 26 citations

Diffraction study of the influences of bonding type and misorientation angle on the structure of [001] twist boundaries along the direction normal to the interface

1986 • 16 citations