Nikolaos Papanikolaou

Bio: Nikolaos Papanikolaou is an academic researcher from Forschungszentrum Jülich. The author has contributed to research in topics: Plasmon & Photonic crystal. The author has an hindex of 26, co-authored 107 publications receiving 4523 citations. Previous affiliations of Nikolaos Papanikolaou include National and Kapodistrian University of Athens & Martin Luther University of Halle-Wittenberg.

Slater-Pauling behavior and origin of the half-metallicity of the full-Heusler alloys

Abstract: Using the full-potential screened Korringa-Kohn-Rostoker method we study the full-Heusler alloys based on Co, Fe, Rh, and Ru. We show that many of these compounds show a half-metallic behavior; however, in contrast to the half-Heusler alloys the energy gap in the minority band is extremely small due to states localized only at the Co (Fe, Rh, or Ru) sites which are not present in the half-Heusler compounds. The full-Heusler alloys show a Slater-Pauling behavior and the total spin magnetic moment per unit cell ${(M}_{t})$ scales with the total number of valence electrons ${(Z}_{t})$ following the rule ${M}_{t}{=Z}_{t}\ensuremath{-}24.$ We explain why the spin-down band contains exactly 12 electrons using arguments based on group theory and show that this rule holds also for compounds with less than 24 valence electrons. Finally we discuss the deviations from this rule and the differences compared to the half-Heusler alloys.

Origin and properties of the gap in the half-ferromagnetic Heusler alloys

Abstract: We study the origin of the gap and the role of chemical composition in the half-ferromagnetic Heusler alloys using the full-potential screened Korringa-Kohn-Rostoker method. In the paramagnetic phase the ${C1}_{b}$ compounds, like NiMnSb, present a gap. Systems with 18 valence electrons, ${Z}_{t},$ per unit cell, like CoTiSb, are semiconductors, but when ${Z}_{t}g18,$ antibonding states are also populated, thus the paramagnetic phase becomes unstable and the half-ferromagnetic one is stabilized. The minority occupied bands accommodate a total of nine electrons and the total magnetic moment per unit cell in ${\ensuremath{\mu}}_{B}$ is just the difference between ${Z}_{t}$ and $2\ifmmode\times\else\texttimes\fi{}9.$ While the substitution of the transition metal atoms may preserve the half-ferromagnetic character, substituting the sp atom results in a practically rigid shift of the bands and the loss of half-metallicity. Finally we show that expanding or contracting the lattice parameter by 2% preserves the minority-spin gap.

Complex Band Structure and Tunneling through Ferromagnet / Insulator / Ferromagnet Junctions

Abstract: We investigate the importance of metal-induced gap states for the tunneling of metal electrons through epitaxial insulator films. By introducing an imaginary part kappa to the wave vector in order to describe the decay of the wave function in the insulator, we obtain the complex band structure in the gap region. The spectrum of the decay parameters kappa is calculated for the semiconductors Si, Ge, GaAs, and ZnSe. In most cases, for large enough film thicknesses the tunneling is dominated by states of normal incidence on the interface. Possible exceptions are considered. Based on our conclusions, we discuss the spin-dependent tunneling in Fe/semiconductor/Fe (001) junctions.

Conceptual improvements of the KKR method

Abstract: We review some recent conceptual improvements of the Korringa–Kohn–Rostoker (KKR) Green function method for electronic structure calculations. After an introduction into the KKR–Green function method we present an extension of this method into an accurate full-potential scheme, which allows calculation of forces and lattice relaxations. The additional numerical effort compared to the atomic sphere approximation scales only linear with the number of atoms. In addition, we discuss the recently developed screened KKR method which represents a reformulation of the multiple scattering theory with exponentially decreasing structure constants. This method, which has the same accuracy as the standard KKR method, exhibits strong advantages for two-dimensional systems like multilayers or surfaces, since the numerical effort scales linearly with the number of layers. The strength of both methods is illustrated in typical applications.

Anomalous hall effect

Abstract: We present a review of experimental and theoretical studies of the anomalous Hall effect (AHE), focusing on recent developments that have provided a more complete framework for understanding this subtle phenomenon and have, in many instances, replaced controversy by clarity. Synergy between experimental and theoretical work, both playing a crucial role, has been at the heart of these advances. On the theoretical front, the adoption of Berry-phase concepts has established a link between the AHE and the topological nature of the Hall currents which originate from spin-orbit coupling. On the experimental front, new experimental studies of the AHE in transition metals, transition-metal oxides, spinels, pyrochlores, and metallic dilute magnetic semiconductors, have more clearly established systematic trends. These two developments in concert with first-principles electronic structure calculations, strongly favor the dominance of an intrinsic Berry-phase-related AHE mechanism in metallic ferromagnets with moderate conductivity. The intrinsic AHE can be expressed in terms of Berry-phase curvatures and it is therefore an intrinsic quantum mechanical property of a perfect cyrstal. An extrinsic mechanism, skew scattering from disorder, tends to dominate the AHE in highly conductive ferromagnets. We review the full modern semiclassical treatment of the AHE together with the more rigorous quantum-mechanical treatments based on the Kubo and Keldysh formalisms, taking into account multiband effects, and demonstrate the equivalence of all three linear response theories in the metallic regime. Finally we discuss outstanding issues and avenues for future investigation.

Giant tunnelling magnetoresistance at room temperature with MgO (100) tunnel barriers

Abstract: Magnetically engineered magnetic tunnel junctions (MTJs) show promise as non-volatile storage cells in high-performance solid-state magnetic random access memories (MRAM). The performance of these devices is currently limited by the modest (< approximately 70%) room-temperature tunnelling magnetoresistance (TMR) of technologically relevant MTJs. Much higher TMR values have been theoretically predicted for perfectly ordered (100) oriented single-crystalline Fe/MgO/Fe MTJs. Here we show that sputter-deposited polycrystalline MTJs grown on an amorphous underlayer, but with highly oriented (100) MgO tunnel barriers and CoFe electrodes, exhibit TMR values of up to approximately 220% at room temperature and approximately 300% at low temperatures. Consistent with these high TMR values, superconducting tunnelling spectroscopy experiments indicate that the tunnelling current has a very high spin polarization of approximately 85%, which rivals that previously observed only using half-metallic ferromagnets. Such high values of spin polarization and TMR in readily manufactureable and highly thermally stable devices (up to 400 degrees C) will accelerate the development of new families of spintronic devices.

Photonic crystals

Abstract: The term photonic crystals appears because of the analogy between electron waves in crystals and the light waves in artificial periodic dielectric structures. During the recent years the investigation of one-, two-and three-dimensional periodic structures has attracted a widespread attention of the world optics community because of great potentiality of such structures in advanced applied optical fields. The interest in periodic structures has been stimulated by the fast development of semiconductor technology that now allows the fabrication of artificial structures, whose period is comparable with the wavelength of light in the visible and infrared ranges.

Slater-Pauling behavior and origin of the half-metallicity of the full-Heusler alloys

Abstract: Using the full-potential screened Korringa-Kohn-Rostoker method we study the full-Heusler alloys based on Co, Fe, Rh, and Ru. We show that many of these compounds show a half-metallic behavior; however, in contrast to the half-Heusler alloys the energy gap in the minority band is extremely small due to states localized only at the Co (Fe, Rh, or Ru) sites which are not present in the half-Heusler compounds. The full-Heusler alloys show a Slater-Pauling behavior and the total spin magnetic moment per unit cell ${(M}_{t})$ scales with the total number of valence electrons ${(Z}_{t})$ following the rule ${M}_{t}{=Z}_{t}\ensuremath{-}24.$ We explain why the spin-down band contains exactly 12 electrons using arguments based on group theory and show that this rule holds also for compounds with less than 24 valence electrons. Finally we discuss the deviations from this rule and the differences compared to the half-Heusler alloys.