First-principles study on energetics of cBN(001) reconstructed surfaces

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

1990 • 21,557 citations

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

1981 • 19,782 citations

Solution of Schrödinger’s equation for large systems

1989 • 1,045 citations

Electron counting model and its application to island structures on molecular-beam epitaxy grown GaAs(001) and ZnSe(001)

1989 • 758 citations

Self-consistent calculations of the energy bands and bonding 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">B</mml:mi></mml:mrow><mml:mrow><mml:mn>12</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><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>3</mml:mn></mml:mrow></mml…

1990 • 393 citations

A New Slab Model Approach for Electronic Structure Calculation of Polar Semiconductor Surface

1990 • 378 citations

Experimental and theoretical equation of state of cubic boron nitride

1989 • 313 citations

Ab initiotheory of polar semiconductor surfaces. I. Methodology and the (22) reconstructions of GaAs(111)

1987 • 221 citations

Vacancy in Si: Successful description within the local-density approximation

1992 • 220 citations

Electronic and structural properties of BN and BP

1986 • 213 citations

Synthesis and Properties of Boron Nitride

1990 • 174 citations

Energetics of As dimers on GaAs(001) As-rich surfaces

1993 • 154 citations

Stoichiometry and Surface Reconstruction: AnAb InitioStudy of GaAs(100) Surfaces

1988 • 78 citations

Ab initiotheory of polar semiconductor surfaces. II. (22) reconstructions and related phase transitions of GaAs(1¯1¯1¯)

1987 • 62 citations

Surface reconstruction of cubic boron nitride (001)

1993 • 22 citations

Surface reconstruction of cubic boron nitride (001)

1993 • 16 citations

Ab initio study of Si(001)2 × chemisorption surface

1994 • 7 citations