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Register a new userHigh-energy spectroscopic study of the III-V nitride-based diluted magnetic semiconductor Ga$_{1-x}$Mn$_{x}$N
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We have studied the electronic structure of the diluted magnetic semiconductor Ga$_{1-x}$Mn$_{x}$N ($x$ = 0.0, 0.02 and 0.042) grown on Sn-doped $n$-type GaN using photoemission and soft x-ray absorption spectroscopy. Mn $L$-edge x-ray absorption have indicated that the Mn ions are in the tetrahedral crystal field and that their valence is divalent. Upon Mn doping into GaN, new state were found to form within the band gap of GaN, and the Fermi level was shifted downward. Satellite structures in the Mn 2$p$ core level and the Mn 3$d$ partial density of states were analyzed using configuration-interaction calculation on a MnN$_{4}$ cluster model. The deduced electronic structure parameters reveal that the $p$-$d$ exchange coupling in Ga$_{1-x}$Mn$_{x}$N is stronger than that in Ga$_{1-x}$Mn$_{x}$As.
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We study the electronic structure of the recently discovered diluted magnetic semiconductor Ga$_{1-x}$Cr$_{x}$N ($x$ = 0.01-0.10). A systematic study of the changes in the $occupied$ and $unoccupied$ ligand (N) partial density of states (DOS) of the host lattice is carried out using N 1$s$ soft x-ray emission and absorption spectroscopy, respectively. X-ray absorption measurements confirm the wurtzite N 2$p$ DOS and substitutional doping of Cr into Ga-sites. Coupled changes in the $occupied$ and $unoccupied$ N 2$p$ character DOS of Ga$_{1-x}$Cr$_{x}$N identify states responsible for ferromagnetism consistent with band structure calculations.
We perform a theoretical study, using {it ab initio} total energy density-functional calculations, of the effects of disorder on the $Mn-Mn$ exchange interactions for $Ga_{1-x}Mn_xAs$ diluted semiconductors. For a 128 atoms supercell, we consider a variety of configurations with 2, 3 and 4 Mn atoms, which correspond to concentrations of 3.1%, 4.7%, and 6.3%, respectively. In this way, the disorder is intrinsically considered in the calculations. Using a Heisenberg Hamiltonian to map the magnetic excitations, and {it ab initio} total energy calculations, we obtain the effective $JMn$, from first ($n=1$) all the way up to sixth ($n=6$) neighbors. Calculated results show a clear dependence in the magnitudes of the $JMn$ with the Mn concentration $x$. Also, configurational disorder and/or clustering effects lead to large dispersions in the Mn-Mn exchange interactions, in the case of fixed Mn concentration. Moreover, theoretical results for the ground-state total energies for several configurations indicate the importance of a proper consideration of disorder in treating temperature and annealing effects.
We present an experimental study for polycrystalline samples of the diluted magnetic semiconductor Mn(x)Ga(1-x)N (x<0.04) in order to address some of the existing controversial issues. Different techniques were used to characterize the electronic, magnetic, and structural properties of the samples, and inelastic neutron scattering was employed to determine the magnetic excitations associated with Mn monomers and dimers. Our main conclusions are as follows: (i) The valence of the Mn ions is 2+. (ii) The Mn(2+) ions experience a substantial single-ion axial anisotropy with parameter D=0.027(3) meV. (iii) Nearest-neighbor Mn(2+) ions are coupled antiferromagnetically. The exchange parameter J= 0.140(7) meV is independent of the Mn content x, i.e., there is no evidence for hole-induced modifications of J towards a potentially high Curie temperature postulated in the literature.
The electronic structure of doped Mn in (Ga,Mn)As is studied by resonant inelastic X-ray scattering (RIXS). From configuration-interaction cluster-model calculations, the line shapes of the Mn $L_3$ RIXS spectra can be explained by $d$-$d$ excitations from the Mn$^{3+}$ ground state, dominated by charge-transferred states, rather than a Mn$^{2+}$ ground state. Unlike archetypical $d$-$d$ excitation, the peak widths are broader than the experimental energy resolution. We attribute the broadening to a finite lifetime of the $d$-$d$ excitations, which decay rapidly to electron-hole pairs in the host valence and conduction bands through hybridization of the Mn $3d$ orbital with the ligand band.
We have undertaken a study of diluted magnetic semiconductors $Ga_{1-x}Mn_{x}N$ and $Ga_{1-x}Cr_{x}N$ with $x=0.0625, 0.125$, using the all electron linearized augmented plane wave method (LAPW) for different configurations of Mn as well as Cr. We study four possible configurations of the impurity in the wurtzite GaN structure to predict energetically most favorable structure within the 32 atom supercell and conclude that the near-neighbor configuration has the lowest energy. We have also analyzed the ferro-magnetic as well as anti-ferromagnetic configurations of the impurity atoms. The density of states as well as bandstructure indicate half metallic state for all the systems. $T_c$ has also been estimated for the above systems.
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