Local moment and ferromagnetic state formation in dilute,degenerate d-electron alloys: Ferromagnetic versus antiferromagnetic interactions

In this note the Kim [1] non-degenerate Anderson model (NDAM) of random dilute alloys treatment of local moment and ferromagnetic state formation is generalized to the ten-fold degenerate Anderson model (TDAM) of Siegel and Kemeny [2], Siegel [3,4] and Moriya [12]. We first determine how an impurity state is modified by neighboring impurities. For a simple binary alloy the local electron state at each impurity site depends upon the local distribution of other impurities. Second we derive a TDAM general relationship for the occurrence of a local moment on one impurity and the ferromagnetic ordering of the total impurity spins. Lastly we derive the impurity-impurity TDAM magnetic interaction; for the direct transfer interaction the impurity-impurity magnetic interaction can be ferromagnetic or antiferromagnetic depending upon the fractional occupation of impurity states. At each stage we compare our results with those of Kim's NDAM treatment.     

Green's function calculations of the hyperfine interaction for impurities in metals andfor metallic interfaces

We present local density functional calculations for magnetic impurities andmagnetic monolayers in non-magnetic metals. The calculations employ a multiple scattering (KKR) Green's function method for impurities in the bulk andfor ideal surfaces and interfaces. In particular we discuss the moment formation of 3d and4d impurities in alkali andnoble metals. Special emphasis is put on an accurate calculation of the host polarization around 3d impurities in Cu andPd. While the calculated impurity hyperfine fields in Cu contain rather large errors due to the local density approximation, the induced fields of the Cu atoms agree very well with experiments. We also present similar calculations for magnetic monolayers andthe corre-sponding induced host polarization in Cu andPd.     

Local moment formation at interstitial impurity sites in metals

We have calculated the electronic structure and related properties around an interstitial impurity in several metallic hosts. This was done using the real-space linear muffin tin orbital scheme (RS-LMTO-ASA), a first-principles, self-consistent approach implemented directly in real space. We show that interstitial Fe does not develop a local moment in trivalent and tetravalent Sc, Y, Ti and Zr hosts. In divalent Ba, Ca, Sr and Yb we find that the appearance of local moment is extremely dependent on nearest neighbor relaxation, while in alkali metals such as K, we expect the interstitial Fe impurity to be magnetic. We show that these trends can be qualitatively understood using simple ideas based on the Wolff model and the Stoner criterium. We also consider Fe impurities in Gd, a trivalent magnetic host. We find an unusually large induced local moment at the interstitial Fe site and discuss the origin of this effect. Finally, we compare our results with TDPAD and in beam Mössbauer experiments in these systems.     

Hydrogen impurities and μSR in ferromagnetic Ni: A self-consistent calculation

We present the first spin-polarized band calculation for hydrogen impurities in ferromagnetic Ni. A set of impurity states is split off from the bottom of the Ni conduction bands. The impurities are effectively screened, and one electron per impurity is filled in states above the pure Ni Fermi energy. The work function is raised by hydrogenation, and the magnetic moment of the Ni atoms surrounding the impurity is reduced. The contact spin density at the impurity compares favourably with μSR data.     

Spectroscopic and magnetic mirages of impurities in nanoscopic systems with focusing properties

We study the behavior of magnetic impurities in nanoscopic systems with focusing properties. In this paper, we analyze the spectroscopic and magnetic properties of Kondo, intermediate valence and magnetic impurities on a sphere with a metallic surface. Using exact calculations, we obtain important spectroscopic and magnetic mirages at the antipodes of the impurity location. When compared with calculations performed using effective models our results validate previous calculations of spectroscopic mirages. These calculations can be extended to other systems with focusing properties like quantum corrals where a similar behavior is expected.     

Hall effect in dilute magnetic alloys

We review the theory and the experimental results on the Hall effect in noble metals containing magnetic impurities of transition metals. In order to illustrate the various types of observed effects, we focus succesively on selected systems: $\text{Cu}$Mn, with only enhancement of the ordinary Hall effect due to the existance of different spin-up and spin-down currents; $\text{Au}$Fe and $\text{Au}$Cr, with skew scattering by magnetic impurities; $\text{Cu}$MnT ternary alloys (where T is a non-magnetic impurity), with skew scattering effects due to combined spin—orbit scattering by non-magnetic impurities and spin scattering by Mn impurities. The skew scattering in $\text{Au}$Fe and $\text{Au}$Cr can be ascribed to the orbital character of the impurity moments and accounted for in an orbitally degenerate virtual bound state model. However, the anomalous temperature dependence of the skew scattering in Kondo alloys at low temperature is not well understood. We also present some magnetoresistance data in order to describe the links between the Hall effect and the magnetoresistance in magnetic alloys. In particular, we relate the skew scattering and the magnetoresistance anisotropy observed in $\text{Au}$Cr alloys.     

Direct observation of orbital magnetism in cubic solids

We present x-ray magnetic circular dichroism determinations of the orbital/spin magnetic moment ratios of dilute 3d-series impurities in Au (and Cu) host matrices. This is the first direct measurement of considerable orbital moments in cubic symmetry for a localized impurity in a bulk metal host. It is shown that the unquenching of orbital magnetism depends on a delicate balance of hybridization effects between the local impurity with the host and the filling of the 3d states of the impurity. The results are accompanied by ab initio calculations that support our experimental findings.     

稀磁合金中“电阻极大”现象的双杂质散射理论

本文基于s-d相互作用,考虑杂质之间存在RKKY相互作用,提出了一种新的双杂质散射模型。按照这个模型,当一个杂质作自旋翻转散射时,由于杂质之间存在着RKKY关联,它的自旋作为内部自由度会受到限制。由于这种关联,抑制了杂质的自旋翻转散射,结合Kondo的logT项,能形成电阻极大。本文计算了所有可能的“DIS”图(双杂质自能图),在Kondo电阻公式中加入了A/(T₀²—T²)这样的项。其中A是一个正常数。T₀是一个临界温度。当T≤T₀时,这个公式不再有意义。这个理论和已有的分子场理论在本质上是不同的.因为它并不依赖于合金中的磁有序.因此当T≥T_c时(T_c是磁有序转变温度),这种机制仍起作用,但分子场理论则不行.这是一种顺磁效应.我们和Cd-Mn(杂质浓度从0.01到0.1at./0)的实验曲线进行了比较,发现符合得很好.最后,我们认为即使在极低浓度下这种机制也是消除Kondo logT发散的主要原因. 关键词：     

Magnetic susceptibility of the itinerant-electron antiferromagnet containing magnetic impurities

The static magnetic susceptibility of an itinerant-electron antiferromagnet containing magnetic impurities, is calculated using the two-band model in the mean-field approximation. The temperature dependence of the magnetic moment of the impurity is also calculated. The theory proposes a model to explain the magnetic behaviour of the binary chromium alloys with the iron and cobalt as well as the magnetic behaviour of some rare earth compounds.     

Modeling vacancies and hydrogen impurities in graphene: A molecular point of view

We have followed a ‘molecular’ approach to study impurity effects in graphene. This is thought as the limiting case of an infinitely large cluster of benzene rings. Therefore, we study several carbon clusters, with increasing size, from phenalene, including three benzene rings, up to coronene 61, with 61 benzene rings. The impurities considered were a chemisorbed H atom, a vacancy, and a substitutional proton. We performed HF and UHF calculations using the STO-3G basis set. With increasing cluster size in the absence of impurities, we find a decreasing energy gap, here defined as the HOMO-LUMO difference. In the case of H chemisorption or a vacancy, the gap does not decrease appreciably, whereas it is substantially reduced in the case of a substitutional proton. The presence of an impurity invariably induces an increase of the density of states near the HOMO level. We find a zero mode only in the case of a substitutional proton. In agreement with experiments, we find that both the chemisorbed H, the substitutional proton, and the C atom near a vacancy acquire a magnetic moment. The relevance of graphene clusters for the design of novel electronic devices is also discussed.     

Local mode sideband IR absorption and second harmonic intensity calculation for various isolated impurities in GaAs

We have calculated the intensity and shape of the local mode sidebands and the second harmonic intensity for various isolated impurities in GaAs. To calculate the absorption we have considered the second order dipole moment in the harmonic approximation. The absorption depends on the values of the impurity charge and polarizability, on the corresponding quantities for the nearest neighbours of each impurity and on a charge migration factor. The latter accounts for charge variations during the motion. Although these quantities vary from impurity to impurity, the results are presented in a general form valid also for other impurities. The point group symmetry properties are used in order to give a physical meaning to the results. The effects on the dynamical properties from the mass defect and the local changes in the force constant are also taken into account.     

Anomalous Hall effect in a two dimensional electron gas with magnetic impurities

Magnetic impurities play an important role in many spintronics-related materials. Motivated by this fact, we study the anomalous Hall effect in the presence of magnetic impurities, focusing on two-dimensional electron systems with Rashba spin-orbit coupling. We find a highly nonlinear dependence on the impurity polarization, including possible sign changes. At small impurity magnetizations, this is a consequence of the remarkable result that the linear term is independent of the spin-orbit coupling strength. Near saturation of the impurity spins, the anomalous Hall conductivity can be resonantly enhanced, due to interference between potential and magnetic scattering.     

On the theory of impurities in a lattice of magnetic ions: Crystalline field effects

We present a formalism for treating the problem of impurities in a lattice of magnetic rare earth ions. Latter are subject to a crystalline field and special attention is paid to non-Kramers ions in a singlet ground state. Our calculations are restricted to the paramagnetic regime. We derive the conditions for magnetic localized modes to occur and discuss the appearance of local magnetic instabilities. It is shown that the impurity effects are especially large if the system is close to a magnetic phase transition. Furthermore we compute the influence of impurities on the magnetic transition temperature. For the case of vacancies or nonmagnetic impurities the dependence of the Curie temperature on impurity concentration is derived. It is demonstrated that small amounts of impurities can often completely suppress magnetic ordering.     

Photoemission spectroscopy of magnetic and nonmagnetic impurities on the surface of the Bi2Se3 topological insulator

Dirac-like surface states on surfaces of topological insulators have a chiral spin structure that suppresses backscattering and protects the coherence of these states in the presence of nonmagnetic scatterers. In contrast, magnetic scatterers should open the backscattering channel via the spin-flip processes and degrade the state's coherence. We present angle-resolved photoemission spectroscopy studies of the electronic structure and the scattering rates upon the adsorption of various magnetic and nonmagnetic impurities on the surface of Bi2Se3, a model topological insulator. We reveal a remarkable insensitivity of the topological surface state to both nonmagnetic and magnetic impurities in the low impurity concentration regime. Scattering channels open up with the emergence of hexagonal warping in the high-doping regime, irrespective of the impurity's magnetic moment.     

Local moment formation in transitional alloys

Starting from a band picture we compute the magnetic moment of transitional impurities in transitional binary alloys and we study their dependence upon host concentration and upon local environment; we study also the energy difference between the paramagnetic state and the ferromagnetic state of the impurity. Applications to the RhPd(Co) and NbMo(Fe) systems are presented.     

States of local moment induced by nonmagnetic impurities in cuprate superconductors

By using a model Hamiltonian with d-wave superconductivity and competing antiferromagnetic (AF) orders, the local staggered magnetization distribution due to nonmagnetic impurities in cuprate superconductors is investigated. We show that the net moment induced by a single impurity corresponds to a local spin with S(z)=0 or 1/2 depending on the strength of the AF interaction U and the impurity scattering strength epsilon. Phase diagram of epsilon versus U for the moment formation is presented. We discuss the connection of this result with the Kondo problem. When two impurities are placed at the nearest neighboring sites, the net moment is always zero, unusually robust to parameter changes. For two neighboring strong impurities, separated by a Cu-ion site, the induced net moment has S(z)=0, 1/2, or 1.     

On magnetic impurities doped into polyacetylene

Theory of collective states of a trans-polyacetylene chain doped with magnetic impurities is presented. The impurity magnetic moment may be either enhanced or suppressed. Impurity moments interact via solitonic and polaronic polarisation of the chain.Dedicated to Academician Vladimír Hajko on the occasion of his 65th birthday.     

Enhancement of next-nearest-neighbouring entanglement in quantum Ising spin chain

Using the method of the Jordan--Wigner transformation for solving different spin--spin correlation functions, we have investigated the generation of next-nearest-neighbouring entanglement in a one-dimensional quantum Ising spin chain with the Gaussian distribution impurities of exchange couplings and external magnetic fields taken into account. The maximal value of entanglement between the next-nearest-neighbouring qubits in the transverse Ising model was analysed in detail by varying the effectively controlled parameters such as interchange coupling, magnetic field and the system impurity. For such systems, where both exchange couplings and external magnetic field disorder appear, we show that it is possible to achieve next-nearest-neighbouring entanglement better than the previously discussed pure Ising spin chain case. We also show that the Gaussian distribution impurity can induce next-nearest-neighbouring entanglement, which can be used as a means to characterize quantum phase transition.     

Quantum corrals, eigenmodes, and quantum mirages in s-wave superconductors

We study the electronic structure of magnetic and nonmagnetic quantum corrals embedded in two-dimensional s-wave superconductors. We demonstrate that a quantum mirage of an impurity bound state is projected from the occupied into the empty focus of a nonmagnetic quantum corral via the excitation of the corral's eigenmodes. We show that quantum corrals provide a new tool for manipulating the interaction between magnetic impurities by exciting oscillations in the corral's impurity potential. Finally, we discuss the form of eigenmodes in magnetic quantum corrals.