92 citations · 109 across the 5 of their papers we have counts for
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cond-mat.mtrl-sci2016★ 2 cited
A precaution for the hybrid density functional calculation of open-shell systems
Jun-Ichi Iwata, Keisuke Sawada, Atsushi Oshiyama
We show that a naive treatment of open-shell systems in hybrid density functional calculations ignoring the spin dependence causes significant errors due to a kind of self interact…
cond-mat.mtrl-sci2015★ 9 cited
Spontaneous Appearance of Low-dimensional Magnetic Electron System on Semiconductor Nanostructures
Keisuke Sawada, Jun-Ichi Iwata, Atsushi Oshiyama
We find that spin-polarized ground states emerge in nanofacets which are self-organized on SiC (0001) surfaces. Our large-scale density-functional calculations reveal that the nano…