Density functional theory was applied to study the electronic and magnetic coupling of Cr-doped InN, in which magnetic configurations have been investigated. We found that the calculated ferromagnetic stabilizing energy is strongly linked to the Cr–Cr distance. The local magnetic moment of Cr is 2.3μB, and it weakly depends on the Cr–Cr distance. The coupling between the Cr d and the N p states is found to be the origin of ferromagnetism in the InCrN system. The generalized gradient approximation-1/2 correction procedure increases the polarization of InCrN, making this system a robust half-metallic ferromagnetic alloy.

Magnetism and clustering in Cr-doped InN

We have grown un-doped and transition metal (V, Cr, Mn, Fe, Co, Ni, Cu)-doped Ge bulk single crystals using the vertical gradient solidification method. The electrical resistivities of V, Ni, Co, and Fe-doped Ge crystals significantly increased, 1043105 times, between 5 and 100K, which were 100 times larger than that of the commercial Ge resistance temperature device (RTD). The large variation of electrical resistance at low temperature arises from decreased carrier density and mobility at low temperature. The mobility reduction at low temperature might be caused by ionized impurity scattering. [doi:10.2320/matertrans.MA201571]

Large Electrical Resistance Variation at Low Temperature in Transition Metal-Doped Ge Single Crystals

The role of Cr on the electronic and optical properties of InCrN: A first principles study

Starting with the Kubo formalism and using the projection operator technique (POT) introduced by Kawabata, the optical quantum transition line-profiles (QTLPs) formula for a Mn-doped wurtzite GaN film was derived as a function of temperature at a frequency of 9.49 GHz (X-band), on the basis of continued fraction representation (CFR) which is a counterpart of the conventional series expansion (CSE). Utilizing this formula we obtained the fine-structure parameter a - F = 9.4 ×10-4 cm-1 and fitting parameter ζ= 4.1. The optical quantum transition half-widths (QTHWs) obtained with the use of these parameters agrees quite well with the existing experimental result in the temperature region T > 20 K. The QTHWs increase with increasing temperature due to the interaction of electrons with optical phonons. Thus, the present technique is considered to be more convenient to explain the resonant system as in the case of other optical transition problems.

http://iopscience.iop.org/article/10.1143/JJAP.51.052402/pdf

Application of a Continued-Fraction-Based Theory to Line-Profile in Mn-Doped GaN Film

A finite type-I superlattice with different dielectric media on either side of the surfaces is considered under a perturbing electric fields parallel to the superlattice axis on the basis of an infinite square potential well. Using the random-phase approximation, the density–density correlation function including intra- and inter-level transitions in a multiple-quantum-well (MQW) is calculated. The dispersion relations for the surface and the bulk states are obtained as functions of the momentum wave vector and the averaged electric field strength over the quantum well. The Raman intensities due to the bulk and the surface plasmons for the intra- and the inter-level transitions are also obtained for incoming light energy.

Optical property and collective excitation of plasmon in a multiple-quantum-well superlattice in electric field

The electron spin resonance lineshape (ESRLS) function for the electron spin resonance linewidth (ESRLW) of Cr³? (S = 3/2) in ferroelectric lithium niobate single crystals doped with 0.05 wt% of Cr, is obtained by using the projection operator technique (POT), developed by Argyres and Sigel. The ESRLS function is calculated to be axially symmetric about the c ? axis and analyzed by using the spin Hamiltonian H SP = μB (BㆍgㆍS) + SㆍDㆍS with the parameters g = 1.972 and D = 0.395 ㎝?¹. In the ca plane, the linewidths show a strong angular dependence, whereas in the ab plane, they are independent of the angle. This result implies that the resonance center has an axial symmetry along the c ? axis. Further, from the temperature dependence of the linewidths that is shown, it can be seen that the linewidths increase as the temperature increases, at a frequency of v = 9.27㎓. This result implies that the scattering effect increases with increasing temperature. Thus, the POT is considered to be more convenient to explain the scattering mechanism as in the case of other optical resonant systems.

Magnetic Properties of Cr-doped LiNbO₃ by Using the Projection Operator Technique

The electronic structure and magnetism are studied for the zinc-blende and wurtzite (Al,Cr)N, (Ga,Cr)N and (In,Cr)N by using the full potential linear muffin-tin orbital method. The energy gap (quasi-gap) in Cr-doped wurtzite InN decreases exponentially with increasing the Cr concentration from 0.027 to 0.166. The half-metallicity is retained in the whole range of concentrations considered, whereas for (Al,Cr)N, the half-metallic character disappears at a concentration of 0.166. The Cr magnetic moment in AlN is about 2.12–2.40μB Cr atom−1 with changing the Cr concentration, and for Cr in InN, it is a nearly constant value of 3.0 μB Cr atom−1.

http://iopscience.iop.org/article/10.1088/0031-8949/79/02/025701/pdf

Different behaviors of half-metallic ferromagnetism of Cr-doped AlN and InN

Optical properties and collective excitations of plasmons in semiconductor superlattices in magnetic fields

The electronic and magnetic properties of Cu-doped GaN with a Cu concentration of 6.25% and 12.5% are examined theoretically using the full-potential linear muffin-tin orbital method. The magnetic moment of Cu atoms decreases with increasing Cu concentration. The spin-polarization of Cu atoms is reduced due to the Cu d-d interaction depending on the distance between the nearest neighbouring Cu atoms. Cu atoms exhibits a clustering tendency in GaN. For Cu-adsorbed GaN thin films with a surface coverage of 0.25, the ferromagnetic state is found to be the energetically favourable state with an induced magnetic moment of 0.54 μ B per supercell.

/pdf/electronic-structure-and-magnetic-moments-of-copper-atom-in-2ub7hlc3by.pdf

Electronic Structure and Magnetic Moments of Copper-atom in/on GaN Semiconductor

The electronic and magnetic properties of 3d transition - metal impurities in aluminum.

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