The structural, electronic and magnetic properties of the hydroxylated graphitic Zinc oxide (ZnO) sheet were studied using the density functional theory. We found that the hydroxylation can induce a magnetic moment of 1.0 μB per unit cell and turn graphitic ZnO sheet from semiconductor into half metal for the three studied hydroxylated configurations with a half-metal gap up to 0.60 eV. The relative stability of each situation was also discussed and the structure for hydroxyl absorbed above the hexagonal ring of ZnO sheet was the most steady. The prominent electronic and magnetic properties may endow 2D ZnO sheet great opportunity in future spintronics.
A new mechanism is proposed to explain the enhancement of conductance in doped nanowires.It is shown that the anomalous enhancement of conductance is due to surface doping.The conductance in doped nanowires increases with dopant concentration,which is qualitatively consistent with the existing experimental results.In addition,the I-V curves are linear and thus suggest that the metal electrodes make ohmic contacts to the shell-doped nanowires.The electric current increases with wire diameter (D) and decreases exponentially with wire length (L).Therefore,the doped nanowires have potential application in nanoscale electronic and optoelectronic devices.
