185 citations · 298 across the 7 of their papers we have counts for
7 papers
Line defects in Graphene: How doping affects the electronic and mechanical properties
Daniel Berger, Christian Ratsch
Graphene and carbon nanotubes have extraordinary mechanical and electronic properties. Intrinsic line defects such as local non-hexagonal reconstructions or grain boundaries, howev…
Modeling the Elastic Energy of Alloys: Potential Pitfalls of Continuum Treatments
Arvind Baskaran, Christian Ratsch, Peter Smereka
Some issues that arise when modeling elastic energy for binary alloys are discussed within the context of a Keating model and density functional calculations. The Keating model is…
Ab-Initio calculations of binding energy of In and Ga adatoms on three GaAs(111)A surface reconstructions
J. N. Shapiro, D. L. Huffaker, C. Ratsch
Calculations of the potential energy surface for tracer Ga and In adatoms above three GaAs (111)A surface reconstructions are presented in order to understand the growth conditions…
Density-functional theory calculations of hopping rates of surface diffusion
C. Ratsch, M. Scheffler
Using density-functional theory we compute the energy barriers and attempt frequencies for surface diffusion of Ag on Ag(111) with different lattice constants, and on an Ag adsorba…
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…
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…
Strain-Dependence of Surface Diffusion: Ag on Ag(111) and Pt(111)
C. Ratsch, A. P. Seitsonen, M. Scheffler
Using density-functional theory with the local-density approximation and the generalized gradient approximation we compute the energy barriers for surface diffusion for Ag on Pt(11…