Energy bands of the ZnO host near the semiconductor gap with (a) wurtzite, (b) zinc-blende, and (c) rocksalt crystal structures obtained using the tight-binding approximation. These results were reproduced using the parameters given in Ref. 30.
Hybridization function of a single orbital with the valence bands [(a) and (c)] or the conduction bands [(b) and (d)]. Here, results are shown for a orbital in the wurtzite or zinc-blende ZnO and for a orbital in the rocksalt ZnO. In obtaining these results, we have used mixing parameters with values taken from Ref. 31.
Square of the magnetic moment at the impurity site vs the chemical potential for different energy intervals at . These results were obtained for a single orbital added to the ZnO host. For the wurtzite and zinc-blende crystal structures, we have considered a orbital, while for the rocksalt case an orbital. The vertical dashed line denotes the bottom of the conduction band.
Impurity-impurity magnetic correlation function vs distance for (a) the wurtzite, (b) zinc-blende, and (c) rocksalt structures. Here, each impurity site consists of a single orbital. For the wurtzite and zinc-blende crystal structure, we have considered a orbital at the impurity sites, while for the rocksalt case a orbital.
Impurity-impurity magnetic correlation function for second-nearest-neighbor impurity sites vs temperature . Here, for the wurtzite and zinc-blende crystal structures, we have considered orbitals, while for the rocksalt case orbitals.
Article metrics loading...
Full text loading...