Structural and magnetic properties of (Ga,Mn)N from first principles

Hynninen, Teemu; Raebiger, Hannes; Boehm, J. von

doi:10.1103/physrevb.75.125208

Cited by 29 publications

(26 citation statements)

References 45 publications

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“…The structure of Mn clusters in (Ga,Mn)N and the interactions of the magnetic Mn ions and clusters have been studied through first-principles calculations and T C was evaluated using mean-field and Monte Carlo methods (Hynninen et al, 2007). It was found that joining substitutional Mn ions to clusters is energetically favorable and especially the structures of two to four Mn ions formed around a single N ion are most stable.…”

Section: A Ab Initio Materials Designmentioning

confidence: 99%

Spinodal nanodecomposition in semiconductors doped with transition metals

et al. 2015

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This review presents the recent progress in computational materials design, experimental realization, and control methods of spinodal nanodecomposition under three-and two-dimensional crystal-growth conditions in spintronic materials, such as magnetically doped semiconductors. The computational description of nanodecomposition, performed by combining first-principles calculations with kinetic Monte Carlo simulations, is discussed together with extensive electron microscopy, synchrotron radiation, scanning probe, and ion beam methods that have been employed to visualize binodal and spinodal nanodecomposition (chemical phase separation) as well as nanoprecipitation (crystallographic phase separation) in a range of semiconductor compounds with a concentration of transition metal (TM) impurities beyond the solubility limit. The role of growth conditions, codoping by shallow impurities, kinetic barriers, and surface reactions in controlling the aggregation of magnetic cations is highlighted. According to theoretical simulations and experimental results the TM-rich regions appear in the form of either nanodots (the dairiseki phase) or nanocolumns (the konbu phase) buried in the host semiconductor. Particular attention is paid to Mn-doped group III arsenides and antimonides, TM-doped group III nitrides, Mn-and Fe-doped Ge, and Cr-doped group II chalcogenides, in which ferromagnetic features persisting up to above room temperature correlate with the presence of nanodecomposition and account for the application-relevant magnetooptical and magnetotransport properties of these compounds. Finally, it is pointed out that spinodal nanodecomposition can be viewed as a new class of bottom-up approach to nanofabrication.

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Section: A Ab Initio Materials Designmentioning

confidence: 99%

Spinodal nanodecomposition in semiconductors doped with transition metals

et al. 2015

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“…The ideal DMSs should exhibit ferromagnetism at room temperature for practical applications and have a homogeneous distribution of the magnetic dopants. Since Dietl et al theoretically predicted that room temperature (RT) ferromagnetism might exist in wide-band-gap semiconductors [2], the transition metal (TM) doped wide-band-gap semiconductors with room temperature ferromagnetism have been extensively reported, such as TMs-doped AlN [3], TiO 2 [4,5], In 2 O 3 [6][7][8], GaN [9,10] and ZnO [11][12][13][14][15][16]. Whereas no convincing evidence can verify that the observed ferromagnetism in TMs-doped DMSs is intrinsic [17].…”

Section: Introductionmentioning

confidence: 99%

Electronic structures and magnetic properties in Ti-doped ZnS

Chen

Yang

et al. 2015

Solid State Communications

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“…GdN may also become useful as a spin injector into GaN, or ferromagnetic Mn-, Fe-, or Gd-doped GaN (see, e.g., Refs. [24][25][26][27][28][29][30][31]). …”

Section: Introductionmentioning

confidence: 99%

Schottky Barrier Formation and Strain at the (011)GdN/GaNInterface from First Principles

Kagawa

Raebiger

2014

Phys. Rev. Applied

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GdN and GaN are both insulators, the former being also a ferromagnet. Despite a lattice mismatch of 10.1% and different crystal structures, lattice-matched interfaces where GdN adopts the smaller lattice parameter of GaN can be formed. We study isotropically and epitaxially strained GdN, as well as the nonpolar (011) GdN=GaN interface by first-principles calculation. We show that upon compressive strain (isotropic or biaxial) corresponding to the strain imposed by the GaN lattice, GdN becomes a half-metallic ferromagnet. In the interface calculation, however, no magnetization of GaN at or away from the interface is observed. The interface exhibits a Schottky connection with the GdN Fermi energy 1.19 eV above the GaN valence band (close to midgap); i.e., the system can be used as a rectifier and possibly also for spintronic applications.

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Structural and magnetic properties of (Ga,Mn)N from first principles

Cited by 29 publications

References 45 publications

Spinodal nanodecomposition in semiconductors doped with transition metals

Spinodal nanodecomposition in semiconductors doped with transition metals

Electronic structures and magnetic properties in Ti-doped ZnS

Schottky Barrier Formation and Strain at the (011)GdN/GaNInterface from First Principles

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