8 papers
Equilibrium shapes and energies of coherent strained InP islands
Q. K. K. Liu, N. Moll, M. Scheffler +1
The equilibrium shapes and energies of coherent strained InP islands grown on GaP have been investigated with a hybrid approach that has been previously applied to InAs islands on…
Highly site-specific H2 adsorption on vicinal Si(001) surfaces
P. Kratzer, E. Pehlke, M. Scheffler +2
Experimental and theoretical results for the dissociative adsorption of H_2 on vicinal Si(001) surfaces are presented. Using optical second-harmonic generation, sticking probabilit…
Density-functional study of hydrogen chemisorption on vicinal Si(001) surfaces
E. Pehlke, P. Kratzer
Relaxed atomic geometries and chemisorption energies have been calculated for the dissociative adsorption of molecular hydrogen on vicinal Si(001) surfaces. We employ density-funct…
The influence of surface stress on the equilibrium shape of strained quantum dots
N. Moll, M. Scheffler, E. Pehlke
The equilibrium shapes of InAs quantum dots (i.e., dislocation-free, strained islands with sizes >= 10,000 atoms) grown on a GaAs (001) substrate are studied using a hybrid approac…
Pseudopotential study of binding properties of solids within generalized gradient approximations: The role of core-valence exchange-correlation
Martin Fuchs, Michel Bockstedte, Eckhard Pehlke +1
In ab initio pseudopotential calculations within density-functional theory the nonlinear exchange-correlation interaction between valence and core electrons is often treated linear…
The Equilibrium Shape of Quantum Dots
E. Pehlke, N. Moll, M. Scheffler
The formation of dislocation-free three-dimensional islands during the heteroepitaxial growth of lattice-mismatched materials has been observed experimentally for several material…