Spin-polarized transport in a lateral two-dimensional diluted magnetic semiconductor electron gas

The transport property of a lateral two-dimensional paramagnetic diluted magnetic semiconductor electron gas under a spatially periodic magnetic field is investigated theoretically. We find that the electron Fermi velocity along the modulation direction is highly spin dependent even if the spin polarization of the carrier population is negligibly small. It turns out that this spin-polarized Fermi velocity alone can lead to a strong spin polarization of the current, which is still robust against the energy broadening effect induced by the impurity scattering. (c) 2006 American Institute of Physics.

Spin-polarized transport in one-dimensional waveguide structures with spatially-periodic electronic and magnetic fields

We investigate theoretically the spin-polarized transport in one-dimensional waveguide structure with spatially-periodic electronic and magnetic fields. The interplay of the spin-orbit interaction and in-plane magnetic field significantly modifies the spin-dependent transmission and the spin polarization. The in-plane magnetic fields increase the strength of the Rashba spin-orbit coupling effect for the electric fields along y axis and decrease this effect for reversing the electric fields, even counteract the Rashba spin-orbit coupling effect. It is very interesting to find that we may deduce the strength of the Rashba effect through this phenomenon. (c) 2005 Elsevier Ltd. All rights reserved.

In-plane stray field induced spin-filtering in a two-dimensional electron gas under the modulation of surface ferromagnetic dual-gate

Based upon a hybrid ferromagnet/semiconductor structure consisting of two-dimensional electron gas and a pair of surface ferromagnetic stripes on top, we have theoretically investigated the effect of in-plane stray field omitted frequently in previous studies on the spin-dependent ballistic transport properties in hybrid structure. It is demonstrated here that, in combination with an external-controllable electrostatic modulation, the concerned structure shows a similar function as a lateral spin-polarized resonant tunneling device, where the strong spin-filtering effect occurs and nearly single-mode polarization is anticipated for the proper modulation. More importantly, the spin polarity of transmission electron can be easily transferred from one extreme to the other by switching the magnetization of stripes, showing the promising application as an efficient spin aligner in the developing semiconductor spintronics.

Time-dependent density functional theory study of charge transfer in collisions

We study the charge transfer between colliding ions, atoms, or molecules, within time-dependent density functional theory. Two particular cases are presented, the collision between a proton and a Helium atom, and between a gold atom and a butane molecule. In the first case, proton kinetic energies between 16 keV and 1.2 MeV are considered, with impact parameters between 0.31 and 1.9 angstrom. The partial transfer of charge is monitored with time. The total cross-section is obtained as a function of the proton kinetic energy. In the second case, we analyze one trajectory and discuss spin-dependent charge transfer between the different fragments.

Unrestricted Skyrme-tensor time-dependent Hartree-Fock model and its application to the nuclear response from spherical to triaxial nuclei

The nuclear time-dependent Hartree-Fock model formulated in three-dimensional space, based on the full standard Skyrme energy density functional complemented with the tensor force, is presented. Full self-consistency is achieved by the model. The application to the isovector giant dipole resonance is discussed in the linear limit, ranging from spherical nuclei (16O and 120Sn) to systems displaying axial or triaxial deformation (24Mg, 28Si, 178Os, 190W and 238U). Particular attention is paid to the spin-dependent terms from the central sector of the functional, recently included together with the tensor. They turn out to be capable of producing a qualitative change on the strength distribution in this channel. The effect on the deformation properties is also discussed. The quantitative effects on the linear response are small and, overall, the giant dipole energy remains unaffected. Calculations are compared to predictions from the (quasi)-particle random-phase approximation and experimental data where available, finding good agreement

Symmetry controlled spin polarized conductance in Au nanowires

The fact that the resistance of propagating electrons in solids depends on their spin orientation has led to a new field called spintronics. With the parallel advances in nanoscience, it is now possible to talk about nanospintronics. Many works have focused on the study of charge transport along nanosystems, such as carbon nanotubes, graphene nanoribbons, or metallic nanowires, and spin dependent transport properties at this scale may lead to new behaviors due to the manipulation of a small number of spins. Metal nanowires have been studied as electric contacts where atomic and molecular insertions can be constructed. Here we describe what might be considered the ultimate spin device, namely, a Au thin nanowire with one Co atom bridging its two sides. We show that this system has strong spin dependent transport properties and that its local symmetry can dramatically change them, leading to a significant spin polarized conductance.

Dimensionality effects in the local density of states of ferromagnetic hosts probed via STM: Spin-polarized quantum beats and spin filtering

We theoretically investigate the local density of states (LDOS) probed by an STM tip of ferromagnetic metals hosting a single adatom and a subsurface impurity. We model the system via the two-impurity Anderson Hamiltonian. By using the equation of motion with the relevant Green's functions, we derive analytical expressions for the LDOS of two host types: a surface and a quantum wire. The LDOS reveals Friedel-like oscillations and Fano interference as a function of the STM tip position. These oscillations strongly depend on the host dimension. Interestingly, we find that the spin-dependent Fermi wave numbers of the hosts give rise to spin-polarized quantum beats in the LDOS. Although the LDOS for the metallic surface shows a damped beating pattern, it exhibits the opposite behavior in the quantum wire. Due to this absence of damping, the wire operates as a spatially resolved spin filter with a high efficiency. © 2013 American Physical Society.

Batimentos quânticos dependentes do SPIN via STM

Pós-graduação em Ciência dos Materiais - FEIS

Spin polarised Heusler compounds

In der vorliegenden Dissertation dient ein einfaches Konzept zur Systematisierung der Suche nach neuen Materialien mit hoher Spinpolarisation. Dieses Konzept basiert auf zwei semi-empirischen Modellen. Zum einen kann die Slater-Pauling Regel zur Abschätzung magnetischer Momente verwendet werden. Dieses Modell wird dabei durch Rechnungen zur elektronischen Struktur unterstützt. Das zweites Modell kann insbesondere für die Co2YZ Heusler Verbindungen beim Vergleich ihrer magnetischen Eigenschaften gefunden werden. Für diese Verbindungen ergibt sich eine scheinbare lineare Abhängigkeit der Curie-Temperatur beim Auftragen als Funktion des magnetischen Momentes. Angeregt durch diese Modelle wurde die Heusler Verbindung Co2FeSi nochmals detailliert im Hinblick auf ihre geometrische und magnetische Struktur hin untersucht. Als Methoden dienten dabei die Pulver-Röntgenbeugung, die EXAFS Spektroskopie, Röntgen Absorptions- and Mößbauer Spektroskopie sowie Hoch- und Tieftemperatur Magnetometrie, XMCD and DSC. Die Messungen zeigten, dass es sich bei Co2FeSi um das Material mit dem höchsten magnetischen Moment (6 B) und der höchsten Curie Temperatur (1100 K) sowohl in der Klasse der Heusler Verbindungen als auch in der Klasse der halbmetallischen Ferromagnete handelt. Zusätzlich werden alle experimentellen Ergebnisse durch detaillierte Rechnungen zur elektronischen Struktur unterstützt. Die gleichen Konzepte wurden verwendet, um die Eigenschaften der Heusler Verbindung Co2Cr1-xFexAl vorherzusagen. Die elektronische Struktur und die spektroskopischen Eigenschaften wurden mit der voll-relativistischen Korringa-Kohn-Rostocker Methode berechnet, unter Verwendung kohärenter Potentialnäherungen um der zufälligen Verteilung von Cr und Fe Atomen sowie zufälliger Unordnung Rechnung zu tragen. Magnetische Effekte wurden durch die Verwendung Spin-abhängiger Potentiale im Rahmen der lokalen Spin-Dichte-Näherung mit eingeschlossen. Die strukturellen und chemischen Eigenschaften der quaternären Heusler Verbindung Co2Cr1-xFexAl wurden an Pulver und Bulkproben gemessen. Die Fernordnung wurde mit der Pulver Röntgenbeugung und Neutronenbeugung untersucht, während die Nahordnung mit der EXAFS Spektroskopie aufgeklärt wurde. Die magnetische Struktur von Pulver und Bulkproben wurde mitttels 57Fe-Mößbauer Spektroskopie gemessen. Die chemische Zusammensetzung wurde durch XPS analysiert. Die Ergebnisse dieser Methoden wurden verglichen, um eine Einsicht in die Unterschiede zwischen Oberflächen und Volumeneigenschaften zu erlangen sowie in das Auftreten von Fehlordnung in solchen Verbindungen. Zusätzlich wurde XMCD an den L3,2 Kanten von Co, Fe, and Cr gemessen, um die elementspezifischen magnetischen Momente zu bestimmen. Rechnungen und Messungen zeigen dabei eine Zunahme des magnetischen Momentes bei steigendem Fe-Anteil. Resonante Photoemission mit weicher Röntgenstrahlung sowie Hochenergie Photoemission mit harter Röntgenstrahlung wurden verwendet, um die Zustandsdichte der besetzten Zustände in Co2Cr0.6Fe0.4Al zu untersuchen. Diese Arbeit stellt außerdem eine weitere, neue Verbindung aus der Klasse der Heusler Verbindungen vor. Co2CrIn ist L21 geordnet, wie Messungen mittels Pulver Röntgenbeugung zeigen. Die magnetischen Eigenschaften wurden mit magnetometrisch bestimmt. Co2CrIn ist weichmagnetisch mit einer Sättigungsmagnetisierung von 1.2B bei 5 K. Im Gegensatz zu den bereits oben erwähnten Co2YZ Heusler Verbindungen ist Co2CrIn kein halbmetallischer Ferromagnet. Im Rahmen dieser Arbeit wird weiterhin eine Regel zur Vorhersage von halbmetallischen komplett kompensierten Ferrimagneten in der Klasse der Heusler Verbindungen vorgestellt. Dieses Konzept resultiert aus der Kombination der Slater-Pauling Regel mit der Kübler-Regel. Die Kübler Regel besagt, dass Mn auf der Y Position zu einem hoch lokalisierten magnetischen Moment tendiert. Unter Verwendung dieses neuen Konzeptes werden für einige Kandidaten in der Klasse der Heusler Verbindungen die Eigenschaft des halbmetallischen komplett kompensierten Ferrimagnetismus vorhergesagt. Die Anwendung dieses Konzeptes wird anhand von Rechnungen zur elektronischen Struktur bestätigt.

Constructing correlated spin states with neutral atoms in optical lattices

This thesis reports on the experimental investigation of controlled spin dependent interactions in a sample of ultracold Rubidium atoms trapped in a periodic optical potential. In such a situation, the most basic interaction between only two atoms at one common potential well, forming a micro laboratory for this atom pair, can be investigated. Spin dependent interactions between the atoms can lead to an intriguing time evolution of the system. In this work, we present two examples of such spin interaction induced dynamics. First, we have been able to observe and control a coherent spin changing interaction. Second, we have achieved to examine and manipulate an interaction induced time evolution of the relative phase of a spin 1/2-system, both in the case of particle pairs and in the more general case of N interacting particles. The first part of this thesis elucidates the spin-changing interaction mechanism underlying many fascinating effects resulting from interacting spins at ultracold temperatures. This process changes the spin states of two colliding particles, while preserving total magnetization. If initial and final states have almost equal energy, this process is resonant and leads to large amplitude oscillations between different spin states. The measured coupling parameters of such a process allow to precisely infer atomic scattering length differences, that e.g. determine the nature of the magnetic ground state of the hyperfine states in Rubidium. Moreover, a method to tune the spin oscillations at will based on the AC-Zeeman effect has been implemented. This allowed us to use resonant spin changing collisions as a quantitative and non-destructive particle pair probe in the optical lattice. This led to a series of experiments shedding light on the Bosonic superfluid to Mott insulator transition. In a second series of experiments we have been able to coherently manipulate the interaction induced time evolution of the relative phase in an ensemble of spin 1/2-systems. For two particles, interactions can lead to an entanglement oscillation of the particle pair. For the general case of N interacting particles, the ideal time evolution leads to the creation of spin squeezed states and even Schrödinger cat states. In the experiment we have been able to control the underlying interactions by a Feshbach resonance. For particle pairs we could directly observe the entanglement oscillations. For the many particle case we have been able to observe and reverse the interaction induced dispersion of the relative phase. The presented results demonstrate how correlated spin states can be engineered through control of atomic interactions. Moreover, the results point towards the possibility to simulate quantum magnetism phenomena with ultracold atoms in optical traps, and to realize and analyze many novel quantum spin states which have not been experimentally realized so far.

Charge and spin transport in nanoscale junction from first principles

Recently nanoscale junctions consisting of 0-D nanostructures (single molecule) or 1-D nanostructures (semiconducting nanowire) sandwiched between two metal electrodes are successfully fabricated and characterized. What lacks in the recent developments is the understanding of the mechanism behind the observed phenomena at the level of atoms and electrons. For example, the origin of observed switching effect in a semiconducting nanowire due to the influence of an external gate bias is not yet understood at the electronic structure level. On the same context, different experimental groups have reported different signs in tunneling magneto-resistance for the same organic spin valve structure, which has baffled researchers working in this field. In this thesis, we present the answers to some of these subtle questions by investigating the charge and spin transport in different nanoscale junctions. A parameter-free, single particle Green’s function approach in conjunction with a posteriori density functional theory (DFT) involving a hybrid orbital dependent functional is used to calculate the tunneling current in the coherent transport limit. The effect of spin polarization is explicitly incorporated to investigate spin transport in a nanoscale junction. Through the electron transport studies in PbS nanowire junction, a new orbital controlled mechanism behind the switching of the current is proposed. It can explain the switching behavior, not only in PbS nanowire, but in other lead-chalcogenide nanowires as well. Beside this, the electronic structure properties of this nanowire are studied using periodic DFT. The quantum confinement effect was investigated by calculating the bandgap of PbS nanowires with different diameters. Subsequently, we explain an observed semiconducting to metallic phase transition of this nanowire by calculating the bandgap of the nanowire under uniform radial strain. The compressive radial strain on the nanowire was found to be responsible for the metallic to semiconducting phase transition. Apart from studying one dimensional nanostructure, we also present transport properties in zero dimensional single molecular junctions. We proposed a new codoping approach in a single molecular carborane junction, where a cation and an anion are simultaneously doped to find the role of a single atom in the device. The main purpose was to build a molecular junction where a single atom can dictate the flow of electrons in a circuit. Recent observations of both positive and negative sign in tunneling magnetoresistance (TMR) the using same organic spin-valve structure hasmystified researchers. From our spin dependent transport studies in a prototypical organic molecular tunneling device, we found that a 3% change in metal-molecule interfacial distance can alter the sign of TMR. Changing the interfacial distance by 3%, the number of participating eigenstates as well as their orbital characteristic changes for anti-parallel configuration of the magnetization at the two electrodes, leading to the sign reversal of the TMR. Apart from this, the magnetic proximity effect under applied bias is investigated quantitatively, which can be used to understand the observed unexpectedmagnetismin carbon basedmaterials when they are in close proximity with magnetic substrates.

Graphene single-electron transistor as a spin sensor for magnetic adsorbates

We study single-electron transport through a graphene quantum dot with magnetic adsorbates. We focus on the relation between the spin order of the adsorbates and the linear conductance of the device. The electronic structure of the graphene dot with magnetic adsorbates is modeled through numerical diagonalization of a tight-binding model with an exchange potential. We consider several mechanisms by which the adsorbate magnetic state can influence transport in a single-electron transistor: tuning the addition energy, changing the tunneling rate, and in the case of spin-polarized electrodes, through magnetoresistive effects. Whereas the first mechanism is always present, the others require that the electrode has to have either an energy- or spin-dependent density of states. We find that graphene dots are optimal systems to detect the spin state of a few magnetic centers.

The electric field effect on spin injection in tunneling regime

Using the quantum tunneling theory, we investigate the spin-dependent transport properties of the ferromagnetic metal/Schottky barrier/semiconductor heterojunction under the influence of an external electric field. It is shown that increasing the electric field, similar to increasing the electron density in semiconductor, will result in a slight enhancement of spin injection in tunneling regime, and this enhancement is significantly weakened when the tunneling Schottky barrier becomes stronger. Temperature effect on spin injection is also discussed. (C) 2003 Elsevier B.V. All rights reserved.

Spin-charge conductance in nanoscale electronic devices

We introduce a spin-charge conductance matrix as a unifying concept underlying charge and spin transport within the framework of the Landauer-Buttiker conductance formula. It turns out that the spin-charge conductance matrix provides a natural and gauge covariant description for electron transport through nanoscale electronic devices. We demonstrate that the charge and spin conductances are gauge invariant observables which characterize transport phenomena arising from spin-dependent scattering. Tunnelling through a single magnetic atom is discussed to illustrate our theory.

Coexistence of spin polarization and pairing correlations in metallic grains

We investigate the competition between magnetic depairing interactions, due to spin-exchange mechanism and∕or to spin-dependent asymmetric bandwidths, and pairing coupling in metallic grains. We present a detailed analysis of the quantum ground state in different regimes arising from the interplay between ferromagnetic and pairing correlations for different fillings. We find out that the occurrence of a ground state with coexisting spin-polarization and pairing correlations is enhanced when the asymmetric spin-dependent distribution of the single-particle energies is considered. The mechanisms leading to such a stable quantum state are finally clarified.