31 citations · 70 across the 5 of their papers we have counts for
6 papers
Electronic structure of A-type antiferomagnetic LaMnO_3 by GW approximation
Y. Nohara, A. Yamasaki, S. Kobayashi +1
The electronic structure of the A-type antiferromagnetic insulator LaMnO3 is investigated by the GW approximation. The band gap and spectrum are in a good agreement with experiment…
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…
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…
La 7/8 Sr 1/8 MnO3: long period orbital order with hole stripes
Michael Korotin, Takeo Fujiwara, Vladimir Anisimov
The electronic structure of La 7/8 Sr 1/8 MnO 3 was studied by using the rotation-invariant LSDA (Local Spin Density Approximation)+U formalism. We found the specific kind of charg…