Tight-binding study of hydrogen on the C(111), C(100), and C(110) diamond surfaces

Simplified LCAO Method for the Periodic Potential Problem

1954 • 4,907 citations

Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films

1990 • 3,942 citations

"Special points for Brillouin-zone integrations"—a reply

1977 • 2,813 citations

Handbook of the Band Structure of Elemental Solids

2014 • 1,515 citations

Infra-Red and Raman Spectra of Polyatomic Molecules

1946 • 1,288 citations

Electronic structure and the properties of solids : the physics of the chemical bond

1989 • 843 citations

The diamond surface: atomic and electronic structure

1986 • 634 citations

A transferable tight-binding potential for carbon

1992 • 634 citations

Generating Transferable Tight-Binding Parameters: Application to Silicon

1989 • 518 citations

Variational mesh for quantum-mechanical simulations

1990 • 506 citations

Energy-Minimization Approach to the Atomic Geometry of Semiconductor Surfaces

1978 • 376 citations

New dimerized-chain model for the reconstruction of the diamond (111)-(2 × 1) surface

1982 • 294 citations

Hydrogen chemisorption and the structure of the diamond C(100)-(2 × 1) surface

1990 • 289 citations

The diamond surface

1977 • 278 citations

Calculation of Magic Numbers and the Stability of Small Si Clusters

1986 • 268 citations

Thin film diamond growth mechanisms

1993 • 266 citations

Structure, dynamics, and electronic properties of diamondlike amorphous carbon

1993 • 266 citations

Realistic tight-binding model for chemisorption: H on Si and Ge (111)

1976 • 156 citations

Surface phonons and CH vibrational modes of diamond (100) and (111) surfaces

1993 • 156 citations

Direct verification of hydrogen termination of the semiconducting diamond(111) surface

1982 • 149 citations

The role of hydrogen on the diamond C(111)−(2 × 1) reconstruction

1988 • 147 citations

Vibrational spectra of hydrogen on diamond C(111)-(1×1)

1992 • 146 citations

Energetics of acetylene-addition mechanism of diamond growth

1988 • 139 citations

Ab initiostudy of diamond C(100) surfaces

1993 • 124 citations

Structures of large fullerenes: C60 to C94

1992 • 117 citations

Energetics of surface reactions on (100) diamond plane

1992 • 115 citations

Reconstruction of the diamond (111) surface

1992 • 115 citations

The adsorption of hydrogen on the (100) surfaces of silicon and diamond

1981 • 101 citations

Photoemission and photon-stimulated ion desorption studies of diamond(111): Hydrogen

1982 • 100 citations

Growth mechanism and the order of appearance of diamond (111) and (100) facets

1993 • 95 citations

Diamond (111) studied by electron energy loss spectroscopy in the characteristic loss region

1982 • 95 citations

A mechanism for growth on diamond (110) from acetylene

1992 • 78 citations

Total energy minimization for surfaces of covalent semiconductors C, Si, Ge, and α-Sn

1988 • 70 citations

The topologies of the clean and hydrogen-terminated C(100) surfaces

1991 • 65 citations

Theoretical studies of clean and hydrogenated diamond (100) by molecular mechanics

1992 • 62 citations

Total energy minimization for diamond (111) surfaces: Support for an undimerized<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>π</mml:mi></mml:math>-bonded chain reconstruction

1984 • 58 citations

Transferable nonorthogonal tight-binding parameters for silicon

1986 • 58 citations

Atomistic Simulations of Friction at Sliding Diamond Interfaces

1993 • 55 citations

Transformation of the diamond (110) surface

1982 • 55 citations

Thermochemistry on the hydrogenated diamond (111) surface

1991 • 42 citations

Surface reconstruction and lattice dynamics of hydrogenated Si(001):2×1

1985 • 38 citations

Hyperpolarizability of the C60 fullerene cluster

1993 • 35 citations

Adsorption of hydrogen on the (001) surface of diamond

1993 • 33 citations

Relaxation of the clean and H-covered C(111) and the clean Si(111)-1×1 surfaces

1993 • 31 citations

Anharmonicity of the hydrogen-carbon stretch mode on diamond (111)-1×1

1992 • 31 citations

Study of the diamond (100) surface using the self-consistent-field extended tight-binding method

1977 • 27 citations

The chemisorption of hydrogen on the diamond (111) surface

1992 • 26 citations

Tight-binding molecular-dynamics study of the hydrogen vibration spectrum on a Si(111) surface

1992 • 24 citations

Hydrogen adsorption of the [0 0 1] diamond surface

1985 • 13 citations