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.
By using a decomposition elimination method for Green＇s function, the transport properties of Graphenenanoribbon-based quantum dot （QD） and/or QD superlattice are studied. It is shown that relatively small changes of both QD size and magnetic field intensity can induce strong variations in the electron transmission across the structure. For a QD device, electrons can be either totally reflected or totally transmitted through the QD region at some energies, and the quasibound peaks have been observed to have a small shift due to quasibound state energy varying. In the case of QD superlattice, the electrons within the miniband energy region can transmit through a device, similar to a QD device. Therefore, the transmission spectrum can be tailored to match with requirement by modulating the size of quantum dot and the number P of superlattice.
