Origin of ferromagnetism via hole doping in SnO2: First-principles calculation

Possible ferromagnetism in Li, Na and K-doped AlN: A first-principle study

“…Also from the DOS in Figs. 3-5 one can see that the introduced holes are confined to the minority-spin states at the top of the valence band, i.e., the carriers are completely spin polarized, thus resulting in a half-metallic state, which is in qualitative agreement with the calculated result of Mg and Ca doped AlN[49,50], Mg-, K-, Al-and Sr-doped SnO 2[43,44] and alkali doped In 2 O 3[45].…”

“…2 reveals that most of the spin density is localized in the vicinity of the dopant and its nearest neighboring N atoms, with a small contribution from the farther N atoms. Similar moment distributions have been found in Mg and Ca doped AlN [49,50], Mg, K, Al and Sr doped SnO 2 [43,44], Li doped TiO 2 [46] and alkali doped In 2 O 3 [45]. To study the magnetic coupling between the moments induced by doping, the systems Al 34 X 2 N 36 (X¼ Li, Na and K), in which two Al atoms are substituted by doping atoms X in the supercell, are investigated.…”

“…1. As mentioned above, first-principle calculations suggested that the substitutional alkali atom at cation site can induce ferromagnetism in several oxides and nitrides [28,[44][45][46][47]. Similarly, calculation by Bouzerar cation in dioxides by monovalent cation of group 1A of the periodic table would be a promising direction for stabilizing or increasing the Curie temperature experimentally [54].…”

“…At the same time, first-principle calculations showed that appropriate nonmagnetic anion or cation substitutions in several oxide, nitride or sulfide semiconductors can induce intrinsic ferromagnetism . In this respect, alkali metal was theoretically predicted to be potential nonmagnetic dopant for some semiconductors [28,[44][45][46][47], and ferromagnetism has been reported in alkali metal doped ZnO and SnO 2 [24][25][26][27]. Moreover, wurtzite AlN is one of the promising host semiconductors in the field of spintronics, and it has been reported that nonmagnetic Si, Sc and Cu doped AlN are ferromagnetic above room temperature [19][20][21].…”

Oxygen vacancy-mediated room temperature ferromagnetism in Sr-doped SnO2 nanoparticles

“…The subsequent experimental studies by Chang et al [6] on SnO 2 thin films and Kamble et al [7] on SnO 2 NPs supported this point. However, some theoretical calculations [4,8] have given inconsistent results with the above experimental results. It was found that Sn vacancy can induce a large magnetic moment (around 4.0 l B ) while commonly assumed oxygen vacancy does not induce any magnetic moment.…”