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4 papers · 2 filters
Experimentally Constrained Molecular Relaxation: The Case of Glassy GeSe2
Parthapratim Biswas, De Nyago Tafen, D. A. Drabold
An ideal atomistic model of a disordered material should contradict no experiments,and should also be consistent with accurate force fields (either {\it ab initio}or empirical). We…
Controlled low-temperature molecular manipulation of sexiphenyl molecules on Ag(111) using scanning tunneling microscopy
Saw-Wai Hla, Kai-Felix Braun, Bernhard Wassermann +1
A novel scanning tunneling microscope manipulation scheme for a controlled molecular transport of weakly adsorbed molecules is demonstrated. Single sexiphenyl molecules adsorbed on…
Single atom extraction by scanning tunneling microscope tip-crash and nanoscale surface engineering
Saw Wai Hla, Kai-Felix Braun, Violeta Iancu +1
We report a novel atom extraction mechanism from the native substrate by means of a scanning tunneling microscope tip-crash on a Ag(111) surface at 5 K. Individual atoms are scatte…
Inclusion of Experimental Information in First Principles Modeling of Materials
Parthapratim Biswas, De Nyago Tafen, Raymond Atta-Fynn +1
We propose a novel approach to model amorphous materials using a first principles density functional method while simultaneously enforcing agreement with selected experimental data…