216 citations · 853 across the 26 of their papers we have counts for
6 papers · 1 filter
Real-space electronic-structure calculations with timesaving double-grid technique
Tomoya Ono, Kikuji Hirose
We present a set of efficient techniques in first-principles electronic-structure calculations utilizing the real-space finite-difference method. These techniques greatly reduce th…
First-Principles Study on Electron Conduction in Sodium Nanowire
Y. Egami, T. Sasaki, T. Ono +1
We present detailed first-principles calculations of the electron-conduction properties of a three-sodium-atom nanowire suspended between semi-infinite crystalline Na(001) electrod…
Even-Odd Oscillation in Conductance of Single-Row Sodium Nanowire
Y. Egami, T. Ono, K. Hirose
We present a first-principles calculation of the electronic conduction properties of single-row sodium nanowires suspended between semi-infinite electrodes. The conductance of the…
First-principles study on dielectric properties of NaCl crystal and ultrathin NaCl films under finite external electric field
Tomoya Ono, Kikuji Hirose
We present a first-principles study on the dielectric properties of an NaCl crystal and ultrathin NaCl films under a finite external electric field. Our results show that the high-…
First-principles study on field evaporation of surface atoms from W(011) and Mo(011) surfaces
Tomoya Ono, Takashi Sasaki, Jun Otsuka +1
The simulations of field-evaporation processes for surface atoms on W(011) and Mo(011) surfaces are implemented using first-principles calculations based on the real-space finite-d…
First-Principles Study on Electron-Conduction Properties of Helical Gold Nanowires
Tomoya Ono, Kikuji Hirose
Multishell helical gold nanowires (HGNs) suspended between semi-infinite electrodes are found to exhibit peculiar electron-conduction properties by first-principles calculations ba…