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most citedFirst-principles prediction of structure, energetics, formation enthalpy, elastic constants, polarization, and piezoelectric constants of AlN, GaN, and InN: comparison of local and gradient-corrected density-functional theory

498 citations · 814 across the 11 of their papers we have counts for

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Showing 1997Show all

3 papers · 1 filter

cond-mat.mtrl-sci1997★ 183 cited

Novel diffusion mechanism on the GaAs(001) surface: the role of adatom-dimer interaction

Alexander Kley, Paolo Ruggerone, Matthias Scheffler

Employing first principles total energy calculations we have studied the behavior of Ga and Al adatoms on the GaAs(001)-beta2 surface. The adsorption site and two relevant diffusio…

cond-mat1997★ 4 cited

Density Functional Theory of Epitaxial Growth of Metals

P. Ruggerone, C. Ratsch, M. Scheffler

This chapter starts with a summary of the atomistic processes that occur during epitaxy. We then introduce density functional theory (DFT) and describe its implementation into stat…

cond-mat.mtrl-sci1997

Density-Functional Theory of Surface Diffusion and Epitaxial Growth of Metals

C. Ratsch, P. Ruggerone, M. Scheffler

This paper gives a summary of basic concepts of density-functional theory (DFT) and its use in state-of-the-art computations of complex processes in condensed matter physics and ma…