Helio Tsuzuki

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Simulations of crystal deformation and structural transformation may generate complex datasets involving networks with million to billion chemical bonds which makes local structure analysis a challenge. An ideal analysis method must recognize perfect crystal structures, such as face-centered cubic, body-centered cubic and hexagonal close packed, and(More)
The structural properties of twin-plane superlattices in InP nanowires are systematically analyzed. First, we employ molecular dynamics simulations to determine the strain fields in nanowires grown in the [111] direction. These fields are produced by the formation of twin-planes and by surface effects. By using the stress tensor obtained from molecular(More)
Indium phosphide is investigated using molecular dynamics (MD) simulations and density-functional theory calculations. MD simulations use a proposed effective interaction potential for InP fitted to a selected experimental dataset of properties. The potential consists of two- and three-body terms that represent atomic-size effects, charge-charge,(More)
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