Shuichi Amino

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We have investigated the effects of 3d transition metal (TM) and non-magnetic interstitial impurities in α-PbO (0 0 1) surface using ab-initio calculations. The calculated impurity-induced magnetic moments are 2.25 μB, 3.11 μB and 0.94 μB for Fe, Mn and Pb interstitials respectively. In the bonding process, TM's lower energy lying d(z2) states form overlaps(More)
With the aid of density functional theory (DFT)-based calculations, we investigate the adsorption of C2H4 on Cu(210). We found two C2H4 adsorption sites, viz., the top of the step-edge atom (S) and the long bridge between two step-edge atoms (SS) of Cu(210). The step-edge atoms on Cu(210) block the otherwise active terrace sites found on copper surfaces(More)
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