Spectroscopic investigations of functional bulk and thin film Heusler alloys

Functional and smart materials have gained large scientific and practical interest in current research and development. The Heusler alloys form an important class of functional materials used in spintronics, thermoelectrics, and for shape memory alloy applications. An important aspect of functional materials is the adaptability of their physical properties. In this work functional polycrystalline bulk and epitaxial thin film Heusler alloys are characterized by means of spectroscopic investigation methods, X-ray magnetic circular dichroism (XMCD) and energy dispersive X-ray analysis (EDX). With EDX the homogeneity of the samples is studied extensively. For some cases of quaternary compounds, for example Co2(MnxTi1−x)Sn and Co2(Mn0.5Dy0.5)Sn, an interesting phase separation in two nearly pure ternary Heusler phases occurs. For these samples the phase separation leads to an improvement of thermoelectric properties. XMCD as the main investigation method was used to study Co2TiZ (Z = Si, Sn, and Sb), Co2(MnxTi1−x)Si, Co2(MnxTi1−x)Ge, Co2Mn(Ga1−xGex), Co2FeAl, Mn2VAl, and Ni2MnGa Heusler compounds. The element-specific magnetic moments are calculated. Also, the spin-resolved unoccupied density of states is determined, for example giving hints for half-metallic ferromagnetism for some Co-based compounds. The systematic change of the magnetic moments and the shift of the Fermi energy is a proof that Heusler alloys are suitable for a controlled tailoring of physical properties. The comparison of the experimental results with theoretical predictions improves the understanding of complex materials needed to optimize functional Heusler alloys.

Spin-strain coupling in a 3-D transition metal oxides

ab-initio Hartree Fock (HF), density functional theory (DFT) and hybrid potentials were employed to compute the optimized lattice parameters and elastic properties of perovskite 3-d transition metal oxides. The optimized lattice parameters and elastic properties are interdependent in these materials. An interaction is observed between the electronic charge, spin and lattice degrees of freedom in 3-d transition metal oxides. The coupling between the electronic charge, spin and lattice structures originates due to localization of d-atomic orbitals. The coupling between the electronic charge, spin and crystalline lattice also contributes in the ferroelectric and ferromagnetic properties in perovskites. The cubic and tetragonal crystalline structures of perovskite transition metal oxides of ABO3 are studied. The electronic structure and the physics of 3-d perovskite materials is complex and less well considered. Moreover, the novelty of the electronic structure and properties of these perovskites transition metal oxides exceeds the challenge offered by their complex crystalline structures. To achieve the objective of understanding the structure and property relationship of these materials the first-principle computational method is employed. CRYSTAL09 code is employed for computing crystalline structure, elastic, ferromagnetic and other electronic properties. Second-order elastic constants (SOEC) and bulk moduli (B) are computed in an automated process by employing ELASTCON (elastic constants) and EOS (equation of state) programs in CRYSTAL09 code. ELASTCON, EOS and other computational algorithms are utilized to determine the elastic properties of tetragonal BaTiO3, rutile TiO2, cubic and tetragonal BaFeO3 and the ferromagentic properties of 3-d transition metal oxides. Multiple methods are employed to crosscheck the consistency of our computational results. Computational results have motivated us to explore the ferromagnetic properties of 3-d transition metal oxides. Billyscript and CRYSTAL09 code are employed to compute the optimized geometry of the cubic and tetragonal crystalline structure of transition metal oxides of Sc to Cu. Cubic crystalline structure is initially chosen to determine the effect of lattice strains on ferromagnetism due to the spin angular momentum of an electron. The 3-d transition metals and their oxides are challenging as the basis functions and potentials are not fully developed to address the complex physics of the transition metals. Moreover, perovskite crystalline structures are extremely challenging with respect to the quality of computations as the latter requires the well established methods. Ferroelectric and ferromagnetic properties of bulk, surfaces and interfaces are explored by employing CRYSTAL09 code. In our computations done on cubic TMOs of Sc-Fe it is observed that there is a coupling between the crystalline structure and FM/AFM spin polarization. Strained crystalline structures of 3-d transition metal oxides are subjected to changes in the electromagnetic and electronic properties. The electronic structure and properties of bulk, composites, surfaces of 3-d transition metal oxides are computed successfully.

Measurements of the Magnetic Permeabilities of the Iron-Manganese Alloy System Prepared by the Methods of Powder Metallurgy

Powder metallurgy is a branch of metallurgy which produces metallic compacts in their final forms by means of pressure and heat-treatment from the pow­ders. The products of powder metallurgy are being used in our daily lives quite often. For example, the tungsten wires in the electric bulbs to the silver-tin fillings of our teeth.

Polaronic metal state at the LaAlO₃/SrTiO₃ interface

Interplay of spin, charge, orbital and lattice degrees of freedom in oxide heterostructures results in a plethora of fascinating properties, which can be exploited in new generations of electronic devices with enhanced functionalities. The paradigm example is the interface between the two band insulators LaAlO3 and SrTiO3 that hosts a two-dimensional electron system. Apart from the mobile charge carriers, this system exhibits a range of intriguing properties such as field effect, superconductivity and ferromagnetism, whose fundamental origins are still debated. Here we use soft-X-ray angle-resolved photoelectron spectroscopy to penetrate through the LaAlO3 overlayer and access charge carriers at the buried interface. The experimental spectral function directly identifies the interface charge carriers as large polarons, emerging from coupling of charge and lattice degrees of freedom, and involving two phonons of different energy and thermal activity. This phenomenon fundamentally limits the carrier mobility and explains its puzzling drop at high temperatures.

Enhanced Exchange And Reduced Magnetization of Gd in an Fe/Gd/Fe Trilayer

The exchange interaction of Gd adjacent to Fe has been characterized by transport measurements on a double spin valve with a Fe/Gd/Fe trilayer as the middle layer. Our measurements show that the ferromagnetism of the Gd is enhanced by the presence of the Fe, and it remains ferromagnetic over its Curie temperature up to a thickness no smaller than 1 nm adjacent to the Fe. This thickness is more than double what has been reported before. Additionally, the saturation magnetization of the thin Gd layer sandwiched in Fe was found to be half of its bulk value. This reduced magnetization does not seem to be related to the proximity of Fe but rather to the incomplete saturation of Gd even for very high fields

Determination of the crystal and magnetic structure of the DyCrO4-scheelite polymorph by neutron diffraction

Neutron diffraction data of DyCrO4 oxide, prepared at 4 GPa and 833 K from the ambient pressure zircon-type, reveal that crystallize with the scheelite-type structure, space group I41/a. Accompanying this structural phase transition induced by pressure the magnetic properties change dramatically from ferromagnetism in the case of zircon to antiferromagnetism for the scheelite polymorph with a T N= 19 K. The analysis of the neutron diffraction data obtained at 1.2 K has been used to determine the magnetic structure of this DyCrO4-scheelite oxide which can be described with a k = [0, 0, 0] as propagation vector, where the Dy and Cr moments are lying in the ab-plane of the scheelite structure. The ordered magnetic moments are 10 µB and 1 µB for Dy+3 and Cr+5 respectively

The middle way

Mesoscopic organization in soft, hard, and biological matter is examined in the context of our present understanding of the principles responsible for emergent organized behavior (crystallinity, ferromagnetism, superconductivity, etc.) at long wavelengths in very large aggregations of particles. Particular attention is paid to the possibility that as-yet-undiscovered organizing principles might be at work at the mesoscopic scale, intermediate between atomic and macroscopic dimensions, and the implications of their discovery for biology and the physical sciences. The search for the existence and universality of such rules, the proof or disproof of organizing principles appropriate to the mesoscopic domain, is called the middle way.

Single-exciton spectroscopy of semimagnetic quantum dots

A photoexcited II-VI semiconductor quantum dots doped with a few Mn spins is considered. The effects of spin-exciton interactions and the resulting multispin correlations on the photoluminescence are calculated by numerical diagonalization of the Hamiltonian, including exchange interaction between electrons, holes, and Mn spins, as well as spin-orbit interaction. The results provide a unified description of recent experiments on the photoluminesnce of dots with one and many Mn atoms as well as optically induced ferromagnetism in semimagnetic quantum dots.

Tunnel magnetoresistance in GaMnAs: going beyond Jullière formula

The relation between tunnel magnetoresistance (TMR) and spin polarization is explored for GaMnAs∕GaAlAs∕GaMnAs structures where the carriers experience strong spin–orbit interactions. TMR is calculated using the Landauer approach. The materials are described in the 6 band k⋅p model which includes spin–orbit interaction. Ferromagnetism is described in the virtual crystal mean field approximations. Our results indicate that TMR is a function of spin polarization and barrier thickness. As a result of the stong spin–orbit interactions, TMR also depends on the the angle between current flow direction and the electrode magnetization. These results compromise the validity of Julliere formula.

Magnetic Edge Anisotropy in Graphenelike Honeycomb Crystals

The independent predictions of edge ferromagnetism and the quantum spin Hall phase in graphene have inspired the quest of other two-dimensional honeycomb systems, such as silicene, germanene, stanene, iridates, and organometallic lattices, as well as artificial superlattices, all of them with electronic properties analogous to those of graphene, but a larger spin-orbit coupling. Here, we study the interplay of ferromagnetic order and spin-orbit interactions at the zigzag edges of these graphenelike systems. We find an in-plane magnetic anisotropy that opens a gap in the otherwise conducting edge channels that should result in large changes of electronic properties upon rotation of the magnetization.

Imaging of spin waves in atomically designed nanomagnets

The spin dynamics of all ferromagnetic materials are governed by two types of collective phenomenon: spin waves and domain walls. The fundamental processes underlying these collective modes, such as exchange interactions and magnetic anisotropy, all originate at the atomic scale. However, conventional probing techniques based on neutron1 and photon scattering2 provide high resolution in reciprocal space, and thereby poor spatial resolution. Here we present direct imaging of standing spin waves in individual chains of ferromagnetically coupled S = 2 Fe atoms, assembled one by one on a Cu2N surface using a scanning tunnelling microscope. We are able to map the spin dynamics of these designer nanomagnets with atomic resolution in two complementary ways. First, atom-to-atom variations of the amplitude of the quantized spin-wave excitations are probed using inelastic electron tunnelling spectroscopy. Second, we observe slow stochastic switching between two opposite magnetization states3, 4, whose rate varies strongly depending on the location of the tip along the chain. Our observations, combined with model calculations, reveal that switches of the chain are initiated by a spin-wave excited state that has its antinodes at the edges of the chain, followed by a domain wall shifting through the chain from one end to the other. This approach opens the way towards atomic-scale imaging of other types of spin excitation, such as spinon pairs and fractional end-states5, 6, in engineered spin chains.

Edge states in graphene-like systems

The edges of graphene and graphene like systems can host localized states with evanescent wave function with properties radically different from those of the Dirac electrons in bulk. This happens in a variety of situations, that are reviewed here. First, zigzag edges host a set of localized non-dispersive state at the Dirac energy. At half filling, it is expected that these states are prone to ferromagnetic instability, causing a very interesting type of edge ferromagnetism. Second, graphene under the influence of external perturbations can host a variety of topological insulating phases, including the conventional quantum Hall effect, the quantum anomalous Hall (QAH) and the quantum spin Hall phase, in all of which phases conduction can only take place through topologically protected edge states. Here we provide an unified vision of the properties of all these edge states, examined under the light of the same one orbital tight-binding model. We consider the combined action of interactions, spin–orbit coupling and magnetic field, which produces a wealth of different physical phenomena. We briefly address what has been actually observed experimentally.

Development of transfluxor circuitry; summary and final report.

"This publication is intended as an appendix to C.A.L. Report 'Integration and non-destructive sensing with magnetic cores.'"

The gap equations for spin singlet and triplet ferromagnetic superconductors

We derive gap equations for superconductivity in coexistence with ferromagnetism. We treat singlet and triplet states With either equal spin pairing (ESP) or opposite spin pairing (OSP) states, and study the behaviour of these states as a function of exchange splitting. For the s-wave singlet state we find that our gap equations correctly reproduce the Clogston-Chandrasekhar limiting behaviour and the phase diagram of the Baltensperger-Sarma equation (excluding the FFLO region). The singlet superconducting order parameter is shown to be independent of exchange splitting at zero temperature, as is assumed in the derivation of the Clogston-Chandrasekhar limit. P-wave triplet states of the OSP type behave similarly to the singlet state as a function of exchange splitting. On the other hand, ESP triplet states show a very different behaviour. In particular, there is no Clogston-Chandrasekhar limiting and the superconducting critical temperature, T-C, is actually increased by exchange splitting.

Competition between disorder and exchange splitting in superconducting ZrZn2

We propose a simple picture for the occurrence of superconductivity and the pressure dependence of the superconducting critical temperature, T-SC, in ZrZn2. According to our hypothesis the pairing potential is independent of pressure, but the exchange splitting, E-xc leads to a pressure dependence in the (spin dependent) density of states at the Fermi level, D-sigma (epsilon(F)). Assuming p-wave pairing T-SC is dependent on D-sigma (epsilonF) which ensures that, in the absence of non-magnetic impurities, T-SC decreases as pressure is applied until it reaches a minimum in the paramagnetic state. Disorder reduces this minimum to zero, this gives the illusion that the superconductivity disappears at the same pressure as ferromagnetism does.