Abstract:A microscopic model of indirect exchange interaction between transition metal impurities in dilute magnetic semiconductors (DMS) is proposed. The hybridization of the impurity delectrons with the heavy hole band states is largely responsible for the transfer of electrons between the impurities, whereas Hund rule for the electron occupation of the impurity d-shells makes the transfer spin selective. The model is applied to such systems as n−type GaN:Mn and p−type (Ga,Mn)As, p−type (Ga,Mn)P. In n−type DMS with M… Show more
“…The double-exchange model is based on a physical picture of the d electron hopping between atoms with strong on-site exchange. 34 In the present study of ZnO:Gd nanowires, V O donates two electrons to the system, mediating the ferromagnetic exchange and hence, the s-f coupling is more prominent than other mechanisms. 34,35 According to our calculations, introducing V Zn does not increase the ferromagnetic coupling energy.…”
Section: Resultsmentioning
confidence: 99%
“…34 In the present study of ZnO:Gd nanowires, V O donates two electrons to the system, mediating the ferromagnetic exchange and hence, the s-f coupling is more prominent than other mechanisms. 34,35 According to our calculations, introducing V Zn does not increase the ferromagnetic coupling energy. Moreover, p-f exchange interaction mediated by holes is not possible, as the calculated DOS of Gd-doped ZnO nanowire shows a shift of Fermi level towards the conduction band, implying that electrons can mediate FM through s-f interactions.…”
Section: Resultsmentioning
confidence: 99%
“…Since d orbitals are not contributing to the partially filled energy bands, the double exchange picture is inappropriate for describing the exchange interaction in the current context of ZnO:Gd nanowires. 34 In this case, when Fermi level overlaps with the Gd f-state (which becomes partially filled) donor electrons occupy empty f states and thus FM coupling occurs. 23 The type of carriers involved in establishing long-range ferromagnetic order determines the exchange interactions in DMS materials.…”
Size effects on formation energies and electronic structures of oxygen and zinc vacancies in ZnO nanowires: A first-principles study J. Appl. Phys. 109, 044306 (2011) In several experimental studies, room temperature ferromagnetism in Gd-doped ZnO nanostructures has been achieved. However, the mechanism and the origin of the ferromagnetism remain controversial. We investigate the structural, magnetic, and electronic properties of Zn 48 O 48 nanowires doped with Gd, using density functional theory. Our findings indicate that substitutionally incorporated Gd atoms prefer occupying the surface Zn sites. Moreover, the formation energy increases with the distance between Gd atoms, signifying that no Gd-Gd segregation occurs in the nanowires within the concentration limit of 2%. Gd induces ferromagnetism in ZnO nanowires with magnetic coupling energy up to 21 meV in the neutral state, which increases with additional electron and O vacancy, revealing the role of carriers in magnetic exchange. The potential for achieving room temperature ferromagnetism and high T C in ZnO:Gd nanowires is evident from the large ferromagnetic coupling energy (200 meV
“…The double-exchange model is based on a physical picture of the d electron hopping between atoms with strong on-site exchange. 34 In the present study of ZnO:Gd nanowires, V O donates two electrons to the system, mediating the ferromagnetic exchange and hence, the s-f coupling is more prominent than other mechanisms. 34,35 According to our calculations, introducing V Zn does not increase the ferromagnetic coupling energy.…”
Section: Resultsmentioning
confidence: 99%
“…34 In the present study of ZnO:Gd nanowires, V O donates two electrons to the system, mediating the ferromagnetic exchange and hence, the s-f coupling is more prominent than other mechanisms. 34,35 According to our calculations, introducing V Zn does not increase the ferromagnetic coupling energy. Moreover, p-f exchange interaction mediated by holes is not possible, as the calculated DOS of Gd-doped ZnO nanowire shows a shift of Fermi level towards the conduction band, implying that electrons can mediate FM through s-f interactions.…”
Section: Resultsmentioning
confidence: 99%
“…Since d orbitals are not contributing to the partially filled energy bands, the double exchange picture is inappropriate for describing the exchange interaction in the current context of ZnO:Gd nanowires. 34 In this case, when Fermi level overlaps with the Gd f-state (which becomes partially filled) donor electrons occupy empty f states and thus FM coupling occurs. 23 The type of carriers involved in establishing long-range ferromagnetic order determines the exchange interactions in DMS materials.…”
Size effects on formation energies and electronic structures of oxygen and zinc vacancies in ZnO nanowires: A first-principles study J. Appl. Phys. 109, 044306 (2011) In several experimental studies, room temperature ferromagnetism in Gd-doped ZnO nanostructures has been achieved. However, the mechanism and the origin of the ferromagnetism remain controversial. We investigate the structural, magnetic, and electronic properties of Zn 48 O 48 nanowires doped with Gd, using density functional theory. Our findings indicate that substitutionally incorporated Gd atoms prefer occupying the surface Zn sites. Moreover, the formation energy increases with the distance between Gd atoms, signifying that no Gd-Gd segregation occurs in the nanowires within the concentration limit of 2%. Gd induces ferromagnetism in ZnO nanowires with magnetic coupling energy up to 21 meV in the neutral state, which increases with additional electron and O vacancy, revealing the role of carriers in magnetic exchange. The potential for achieving room temperature ferromagnetism and high T C in ZnO:Gd nanowires is evident from the large ferromagnetic coupling energy (200 meV
“…1 and generally accepted for the shallow acceptor counterparts to GaAs:Mn, applies well to the intermediate extrinsic GaAs:Mn. The perception of merged impurity and valence bands in highly Mn-doped metallic GaAs is now also firmly established in the microscopic theory community 7,15,[18][19][20][21][22] and provides a qualitative, and often a semiquantitative, description of micromagnetic and magnetotransport characteristics of bulk and microstructured ͑Ga,Mn͒As ferromagnets. 6,7,15 Our paper, which we believe further establishes the valence-band nature of the Fermi level states in metallic GaAs:Mn, is timely as the topic is still not fully settled.…”
We discuss the character of states near the Fermi level in Mn-doped GaAs, as revealed by a survey of dc transport and optical studies over a wide range of Mn concentrations. A thermally activated valence-band contribution to dc transport, a midinfrared peak at energy ប Ϸ 200 meV in the ac conductivity, and the hot photoluminescence spectra indicate the presence of an impurity band in low-doped ͑Ӷ1% Mn͒ insulating GaAs:Mn materials. Consistent with the implications of this picture, both the impurity-band ionization energy inferred from the dc transport and the position of the midinfrared peak move to lower energies, and the peak broadens with increasing Mn concentration. In metallic materials with Ͼ2% doping, no traces of Mn-related activated contribution can be identified in dc transport, suggesting that the impurity band has merged with the valence band. No discrepancies with this perception are found when analyzing optical measurements in the high-doped GaAs:Mn. A higher-energy ͑ប Ϸ 250 meV͒ midinfrared feature which appears in the metallic samples is associated with inter-valence-band transitions. Its redshift with increased doping can be interpreted as a consequence of increased screening, which narrows the localized-state valence-band tails and weakens higher-energy transition amplitudes. Our examination of the dc and ac transport characteristics of GaAs:Mn is accompanied by comparisons with its shallow acceptor counterparts, confirming the disordered valence-band picture of high-doped metallic GaAs:Mn material.
“…In Ref. 19 it is shown that doubleexchange and superexchange mechanisms can play an important role on the static polarization of a DMS. According to these considerations the present work is addressed to the study of the third-order exchange contributions and its influence on the time evolution of the total magnetization in a DMS.…”
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