Electronic structure of the substitutional versus interstitial manganese in GaN
Apstrakt
Density-functional studies of the electron states in the dilute magnetic semiconductor GaN:Mn reveal major differences for the case of the Mn impurity at the substitutional site (Mn-Ga) versus the interstitial site (Mn-I). The splitting of the twofold and the threefold degenerate Mn(d) states in the gap are reversed between the two cases, which is explained in terms of the symmetry-controlled hybridization with the neighboring atoms. In contrast to Mn-Ga, which acts as a deep acceptor, Mn-I acts as a donor, suggesting the formation of Coulomb-stabilized complexes such as MnGaMnIMnGa, where the acceptor level of Mn-Ga is passivated by the Mn-I donor. Formation of such passivated clusters might be the reason for the observed low carrier-doping efficiency of Mn in GaN. Even though the Mn states are located well inside the gap, the wave functions are spread far away from the impurity center. This is caused by the hybridization with the nitrogen atoms, which acquire small magnetic moments a...ligned with the Mn moment. Implications of the differences in the electronic structure for the optical properties are discussed.
Izvor:
Physical Review B: Condensed Matter and Materials Physics, 2004, 70, 16
DOI: 10.1103/PhysRevB.70.161308
ISSN: 1098-0121
WoS: 000224856000014
Scopus: 2-s2.0-11344282858
Kolekcije
Institucija/grupa
VinčaTY - JOUR AU - Popović, Zoran S. AU - Satpathy, Sashi AU - Mitchel, WC PY - 2004 UR - https://vinar.vin.bg.ac.rs/handle/123456789/2822 AB - Density-functional studies of the electron states in the dilute magnetic semiconductor GaN:Mn reveal major differences for the case of the Mn impurity at the substitutional site (Mn-Ga) versus the interstitial site (Mn-I). The splitting of the twofold and the threefold degenerate Mn(d) states in the gap are reversed between the two cases, which is explained in terms of the symmetry-controlled hybridization with the neighboring atoms. In contrast to Mn-Ga, which acts as a deep acceptor, Mn-I acts as a donor, suggesting the formation of Coulomb-stabilized complexes such as MnGaMnIMnGa, where the acceptor level of Mn-Ga is passivated by the Mn-I donor. Formation of such passivated clusters might be the reason for the observed low carrier-doping efficiency of Mn in GaN. Even though the Mn states are located well inside the gap, the wave functions are spread far away from the impurity center. This is caused by the hybridization with the nitrogen atoms, which acquire small magnetic moments aligned with the Mn moment. Implications of the differences in the electronic structure for the optical properties are discussed. T2 - Physical Review B: Condensed Matter and Materials Physics T1 - Electronic structure of the substitutional versus interstitial manganese in GaN VL - 70 IS - 16 DO - 10.1103/PhysRevB.70.161308 ER -
@article{ author = "Popović, Zoran S. and Satpathy, Sashi and Mitchel, WC", year = "2004", abstract = "Density-functional studies of the electron states in the dilute magnetic semiconductor GaN:Mn reveal major differences for the case of the Mn impurity at the substitutional site (Mn-Ga) versus the interstitial site (Mn-I). The splitting of the twofold and the threefold degenerate Mn(d) states in the gap are reversed between the two cases, which is explained in terms of the symmetry-controlled hybridization with the neighboring atoms. In contrast to Mn-Ga, which acts as a deep acceptor, Mn-I acts as a donor, suggesting the formation of Coulomb-stabilized complexes such as MnGaMnIMnGa, where the acceptor level of Mn-Ga is passivated by the Mn-I donor. Formation of such passivated clusters might be the reason for the observed low carrier-doping efficiency of Mn in GaN. Even though the Mn states are located well inside the gap, the wave functions are spread far away from the impurity center. This is caused by the hybridization with the nitrogen atoms, which acquire small magnetic moments aligned with the Mn moment. Implications of the differences in the electronic structure for the optical properties are discussed.", journal = "Physical Review B: Condensed Matter and Materials Physics", title = "Electronic structure of the substitutional versus interstitial manganese in GaN", volume = "70", number = "16", doi = "10.1103/PhysRevB.70.161308" }
Popović, Z. S., Satpathy, S.,& Mitchel, W.. (2004). Electronic structure of the substitutional versus interstitial manganese in GaN. in Physical Review B: Condensed Matter and Materials Physics, 70(16). https://doi.org/10.1103/PhysRevB.70.161308
Popović ZS, Satpathy S, Mitchel W. Electronic structure of the substitutional versus interstitial manganese in GaN. in Physical Review B: Condensed Matter and Materials Physics. 2004;70(16). doi:10.1103/PhysRevB.70.161308 .
Popović, Zoran S., Satpathy, Sashi, Mitchel, WC, "Electronic structure of the substitutional versus interstitial manganese in GaN" in Physical Review B: Condensed Matter and Materials Physics, 70, no. 16 (2004), https://doi.org/10.1103/PhysRevB.70.161308 . .