31 citations · 60 across the 4 of their papers we have counts for
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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…
Large-scale electronic structure calculation and its application
Takeo Hoshi
Several methodologies are developed for large-scale atomistic simulations with fully quantum mechanical description of electron systems. The important methodological concepts are (…
Dynamical brittle fractures of nanocrystalline silicon using large-scale electronic structure calculations
Takeo Hoshi, Takeo Fujiwara
A hybrid scheme between large-scale electronic structure calculations is developed and applied to nanocrystalline silicon with more than 10 atoms. Dynamical fracture processes…