45 citations · 225 across the 13 of their papers we have counts for
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Development of simulation package for atomic processes of ultra-large-scale system based on electronic structure theory
Hitoshi Nitta, Naoki Watanabe, Takeo Hoshi +1
An early-stage version of simulation package is developed for electronic structure calculation and dynamics of atom process in large-scale systems, particularly, nm-scale or 10nm-s…
Two-Stage Formation Model and Helicity of Gold Nanowires
Yusuke Iguchi, Takeo Hoshi, Takeo Fujiwara
A model for formation of helical multishell gold nanowires is proposed and is confirmed with the quantum mechanical molecular dynamics simulations. The model can explain the magic…
Draw out Carbon Nanotube from Liquid Carbon
Shuang Zhang, Takeo Hoshi, Takeo Fujiwara
Carbon nanotube (CNT) is expected for much more important and broader applications in the future, because of its amazing electrical and mechanical properties. However, today, the p…
Large-scale electronic-structure theory and nanoscale defects formed in cleavage process of silicon
T. Hoshi, R. Takayama, Y. Iguchi +1
Several methods are constructed for large-scale electronic structure calculations. Test calculations are carried out with up to 10^7 atoms. As an application, cleavage process of s…
Nanoscale structures formed in silicon cleavage studied with large-scale electronic structure alculations; surface reconstruction, step and bending
Takeo Hoshi, Yusuke Iguchi, Takeo Fujiwara
The 10-nm-scale structure in silicon cleavage is studied by the quantum mechanical calculations for large-scale electronic structure. The cleavage process on the order of 10 ps sho…
The electronic structure around As antisite near (110) surface of GaAs
Yusuke Iguchi, Takeo Fujiwara, Akira Hida +1
The electronic structure around a single As antisite in GaAs is investigated in bulk and near the surface both in the stable and the metastable atomic configurations. The most char…