Magnetism of mixed quaternary Heusler alloys: (Ni,T)2_{2}MnSn (T=Cu,Pd) as a case study

The electronic properties, exchange interactions, finite-temperature magnetism, and transport properties of random quaternary Heusler Ni$_{2}$MnSn alloys doped with Cu- and Pd-atoms are studied theoretically by means of {\it ab initio} calculations over the entire range of dopant concentrations. While the magnetic moments are only weakly dependent on the alloy composition, the Curie temperatures exhibit strongly non-linear behavior with respect to Cu-doping in contrast with an almost linear concentration dependence in the case of Pd-doping. The present parameter-free theory agrees qualitatively and also reasonably well quantitatively with the available experimental results. An analysis of exchange interactions is provided for a deeper understanding of the problem. The dopant atoms perturb electronic structure close to the Fermi energy only weakly and the residual resistivity thus obeys a simple Nordheim rule. The dominating contribution to the temperature-dependent resistivity is due to thermodynamical fluctuations originating from the spin-disorder, which, according to our calculations, can be described successfully via the disordered local moments model. Results based on this model agree fairly well with the measured values of spin-disorder induced resistivity.Comment: 13 pages, 13 figure

Relation of Curie temperature and conductivity: (Ga,Mn)As alloy as a case study

Experimental investigations of diluted magnetic semiconductors indicate a strong relation between Curie temperature and conductivity. Both quantities depend non trivially on the concentration of magnetic impurities, the carrier density, and the presence of compensating defects. We calculate both Curie temperature and conductivity of (Ga,Mn)As alloys in a selfconsistent manner based on the same first principles Hamiltonian in which the presence of compensating defects is taken into account. The effect of As-antisites and Mn-interstitials is determined separately and a good agreement between theory and experiment exists only in the case where the dominating mechanism of is due to the Mn-interstitials.Comment: The manuscript is accepted for publication in AP

Magnetism of 3d transition metal atoms on W(001): submonolayer films

We have investigated random submonolayer films of 3d transition metals on W(001). The tight-binding linear muffin-tin orbital method combined with the coherent potential approximation was employed to calculate the electronic structure of the films. We have estimated local magnetic moments and the stability of different magnetic structures, namely the ferromagnetic order, the disordered local moments and the non-magnetic state, by comparing the total energies of the corresponding systems. It has been found that the magnetic moments of V and Cr decrease and eventually disappear with decreasing coverage. On the other hand, Fe retains approximately the same magnetic moment throughout the whole concentration range from a single impurity to the monolayer coverage. Mn is an intermediate case between Cr and Fe since it is non-magnetic at very low coverages and ferromagnetic otherwise.Comment: 5 pages, 3 figures in 6 files; presented at ICN&T 2006, Basel, Switzerlan

Quantum graph as a quantum spectral filter

We study the transmission of a quantum particle along a straight input--output line to which a graph $\Gamma$ is attached at a point. In the point of contact we impose a singularity represented by a certain properly chosen scale-invariant coupling with a coupling parameter $\alpha$. We show that the probability of transmission along the line as a function of the particle energy tends to the indicator function of the energy spectrum of $\Gamma$ as $\alpha\to\infty$. This effect can be used for a spectral analysis of the given graph $\Gamma$. Its applications include a control of a transmission along the line and spectral filtering. The result is illustrated with an example where $\Gamma$ is a loop exposed to a magnetic field. Two more quantum devices are designed using other special scale-invariant vertex couplings. They can serve as a band-stop filter and as a spectral separator, respectively.Comment: 15 pages, 8 figures. Copyright (2013) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physic

Correlated Doping in Semiconductors: The Role of Donors in III-V Diluted Magnetic Semiconductors

We investigate the compositional dependence of the total energy of the mixed crystals (Ga,Mn)As co-doped with As, Sn, and Zn. Using the ab initio LMTO-CPA method we find a correlation between the incorporation of acceptors (Mn, Zn) and donors (Sn, antisite As). In particular, the formation energy of As_Ga is reduced by approx. 0.1 eV in the presence of Mn, and vice versa. This leads to the self-compensating behavior of (Ga,Mn)As.Comment: 8 pages, 2 figures, presented at the XXXI Int. School of Semiconducting Compounds, Jaszowiec 2002, Polan