Ab initio calculation of Zn0.8Mn0.2O1−yNy

Electronic structure of p-type (Ga,Fe)N diluted magnetic semiconductors

“…On the other hand, if the d-orbital is completely occupied then this reduction of energy via hopping is no possible and the system energy gets lowered by antiferromagnetic spin alignment of neighboring Fe atoms by super exchange [13]. Our results are in agreement with the theoretical prediction of ferromagnetism in p-type DMS (Mn-doped p-type ZnO, Mn-doped p-type GaN, Mn-doped p-type GaAs) [14][15][16]. By effect of external magnetic field applied (H ¼ 0.05) to p-(Ga,Fe)N the 3d electrons of Fe shift more to the valence band and increases the exchange splitting from 5.31 to 5.84 eV (Fig.…”

High- ferromagnetism in p-type ZnO diluted magnetic semiconductors

“…Using an ab initio calculation we have proved that the ferromagnetism in Mn-doped p-type ZnO is mediated through damped or undamped RKKY exchange interactions [6]. The complex interplay of the long-range oscillatory behaviour of the RKKY interaction and strong disorder makes simple theoretical statement difficult.…”

“…We consider a damped and undamped RKKY interaction model to describe the exchange coupling constants J ij between the local moments Mn i and Mn j depending on the hole concentration, n c [6].…”

Neutron diffraction study and ab-initio calculations of nanostructured doped ZnO

“…The difference in the results between several research groups shows that the properties are affected by the samples preparation methods. In addition, in most of the previous studies, some characterizations or theoretical calculations were not carried out [33][34][35][36].…”