Papers by Author: Fumiyasu Oba

Abstract: In this paper, we characterized atomic structure of a Σ = 3, [110]/{112} grain boundary in a yttria-stabilized cubic zirconia bicrystal. High-resolution transmission electron microscopy (HRTEM) clearly revealed that the grain boundary migrated to form {111}/{115} periodical facets, although the bicrystal was initially joined so as to have the symmetric straight boundary plane of {112}. Atomic-scale process for the facet growth could be modeled by the continuous flippings of atoms at the boundary core.

Abstract: The formation of Mg vacancy induced by ultra-dilute trivalent impurities in MgO is investigated by a combination of positron lifetime measurements and first-principles calculations. The undoped MgO yields the shortest positron lifetime of 140 ps that is shorter than that of a single crystal sample. The positron lifetime of the doped samples increases with the increase of the Al dopant concentration and is saturated at around 180 ps. This result clearly indicates that the formation of Mg vacancy is induced by Al dopant. The concentration of the other trivalent impurities can be evaluated using the result of component analysis of positron lifetimes. The experimental bulk lifetime of 130 ps, which is obtained by employing trapping model, is well reproduced by the theoretical calculation using the semiconductor model. The calculated defect lifetime is about 20 ps longer than the experimental value. This may be due to the lattice relaxation around Mg vacancy associated with the trapping of positrons.

Abstract: Our recent studies on current-voltage characteristic and grain boundary structure in ZnO bicrystals are reviewed in this paper. All types of undoped ZnO bicrystals showed Ohmic characteristics. This indicates that nonlinear current-voltage characteristic cannot be generated solely by the atomic disarrangement in undoped ZnO. On the other hand, co-doped ZnO bicrystals showed nonlinear current-voltage characteristics, which depended on the types of grain boundary. It is considered that the nonlinearity depends on the Pr concentrations at the respective grain boundaries.