Empirical potential energy functions, comprising two- and three-body terms, have been derived for copper, silver and gold. These potentials reproduce the experimental energies and relaxations of the (111), (110) and (100) surfaces of the fcc solid, to a high degree of accuracy and correctly predict the 1 × 2 reconstruction of the (110) surface of gold
Modified embedded atom method (MEAM) potentials for fcc elements Cu, Ag, Au, Ni, Pd, Pt, Al, and Pb ...
A method has been proposed for constructing the two-dimensional pseudopotential describing the elect...
The free energy of surfaces along the pole in gold and copper is determined to assess the effect of...
A set of potential energy functions for noble metals: copper, silver and gold crystals has been deri...
An empirical potential energy function, comprising two- and three-body terms, has been derived for p...
Surface energies and relaxations are calculated within the tight-binding formalism and includ-ing al...
A review of studies that have been made using the Murrell–Mottram two-plus-three-body empirical pote...
We have made a comparative study for the empirical potential energy functions proposed and parametri...
We studied (p 7 1a3) gold (111) surface reconstructions within the DFT/PW91 approximation. Our fin...
We apply the Green's function based full-potential (FP) screened Korringa-Kohn-Rostoker method in co...
Using two different full-potential ab initio techniques we introduce a simple rule based on the num...
We have theoretically studied the stability and reconstruction of (111) surfaces of Au, Pt, and Cu. ...
The ground state energies of Ag and Au in the face-centered cubic (FCC), body-centered cubic (BCC), ...
Previously, in an earlier publication we developed a general method for calculating the free energy ...
The potential-induced surface reconstruction of Au(100) has been studied by a combination of density...
Modified embedded atom method (MEAM) potentials for fcc elements Cu, Ag, Au, Ni, Pd, Pt, Al, and Pb ...
A method has been proposed for constructing the two-dimensional pseudopotential describing the elect...
The free energy of surfaces along the pole in gold and copper is determined to assess the effect of...
A set of potential energy functions for noble metals: copper, silver and gold crystals has been deri...
An empirical potential energy function, comprising two- and three-body terms, has been derived for p...
Surface energies and relaxations are calculated within the tight-binding formalism and includ-ing al...
A review of studies that have been made using the Murrell–Mottram two-plus-three-body empirical pote...
We have made a comparative study for the empirical potential energy functions proposed and parametri...
We studied (p 7 1a3) gold (111) surface reconstructions within the DFT/PW91 approximation. Our fin...
We apply the Green's function based full-potential (FP) screened Korringa-Kohn-Rostoker method in co...
Using two different full-potential ab initio techniques we introduce a simple rule based on the num...
We have theoretically studied the stability and reconstruction of (111) surfaces of Au, Pt, and Cu. ...
The ground state energies of Ag and Au in the face-centered cubic (FCC), body-centered cubic (BCC), ...
Previously, in an earlier publication we developed a general method for calculating the free energy ...
The potential-induced surface reconstruction of Au(100) has been studied by a combination of density...
Modified embedded atom method (MEAM) potentials for fcc elements Cu, Ag, Au, Ni, Pd, Pt, Al, and Pb ...
A method has been proposed for constructing the two-dimensional pseudopotential describing the elect...
The free energy of surfaces along the pole in gold and copper is determined to assess the effect of...
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