Numerical Studies on the Magnetism of Fe-Ni-Mn Alloys in the Invar Region

By means of self-consistent semi-empirical LCAO calculations we study the itinerant magnetism of (Fe_{0.65}Ni_{0.35})_{1-y} Mn_y alloys for y between 0 and 0.22 at T=0 K, neglecting only the transverse spin components. We find that the magnetic behaviour is quite complicated on a local scale. In addition to ferromagnetic behaviour, also metastable spin-glass-like configurations are found. In the same approach, using a direct numerical calculation by the Kubo-Formalism without any fit parameters, we also calculate the electrical conductance in the magnetic state and find that the $y$-dependence observed in the experiments is well reproduced by our calculations, except of an overall factor of rougly 5, by which our resistivities are too large.Comment: 12 pages (Latex, to be applied 2 times) + 13 figures (eps-files

Oscillatory Thickness Dependence of Magnetic Moments and interface-induced Changes of the Exchange Coupling in Co/Cu and Co-Ni/Cu Multilayers

We perform first-principles calculations for the three multilayer systems (100)-Co_1/Cu_n, -NiCo_2Ni/Cu_n and -Co_4/Cu_n, and find from a comparison x of the results for system 2 and 3 that amplitude and phase of the exchange coupling are sensitive to the magnetic-slab/nonmagnetic-spacer interface. Moreover, we observe that for the system 1 and 2 the averaged magnetic moment of the magnetic slab oscillates with the spacer thickness similarly as the exchange coupling.Comment: 5 pages (Latex, to be applied 2 times) + 2 figures (.ps-files

First principles studies of modulated Co/Cu superlattices with strongly and weakly exchange biased Co-monolayers

First-principles calculations have been performed in order to determine effective exchange integrals between {\it strongly} and {\it weakly} exchange-coupled Co monolayers in certain modulated periodic $CoCu_2/CoCu_n$-type superlattices with three non-equivalent Co planes, which have not yet been studied hitherto. For $3\le n\le 6$ we find that the two non-equivalent exchange integrals have opposite signs, i.e.~the strong coupling is antiferromagnetic and the weak coupling ferromagnetic, and differ for $n\ne 4$ from each other by one order of magnitude. It is shown that the results depend on the system as a whole and could not be obtained from separate parts. Finally we suggest that ''spin valve'' systems of such kind should be considered when trying to obtain good magneto-resistance together with low switching-fields.Comment: LaTex, 9 pages, including two .eps-figure

Zum Zusammenhang zwischen Rational-Emotiver Theorie und Attributionstheorie: Irrationale Gedanken als Determinanten depressogener Ursachenzuschreibungen und maladaptiver Emotionen

Die Rational-Emotive Theorie (RET) nach Ellis sowie die Attributionstheorien betrachten Kognitionen als notwendige und hinreichende Bedingungen bestimmter Emotionen. Zudem beinhalten beide Theoriekomplexe spezifische Darstellungen von Kognitionen, die der psychischen Gesundheit abträglich sind: Diese sind in der RET durch irrationale Gedanken („ich muss unbedingt...“) in der Attributionstheorie insbesondere durch den depressogenen Attributionsstil gekennzeichnet. Auf der Grundlage dieser theoretischen Gemeinsamkeiten überprüft eine experimentelle Fragebogenstudie mittels unterschiedlicher Szenarien in permutierten Darbietungen, inwiefern irrational („ich muss unbedingt...“) und rational („ich möchte gerne...“) denkenden Stimuluspersonen unterschiedliche Emotionen, Kausalattributionen und Verhaltensweisen zugeschrieben werden. Es zeigt sich, dass adaptive Emotionen bei rational denkenden und maladaptive Emotionen bei irrational denkenden Personen vermutet werden. Hinsichtlich der Dimensionen Stabilität, Lokation und Globalität ergeben sich für irrational im Unterschied zu den rational Denkenden signifikante und konsistente depressogene Attributionsmuster. Zudem wird bei den irrationalen Denkern tendenziell eine stärkere wahrgenommene Kontrollierbarkeit vermutet. Bezüglich zukünftiger Verhaltensweisen werden überwiegend bei rational denkenden Personen produktive Verhaltensresultate vermutet. Zusätzlich erhobene Einschätzungen bestätigen eine höhere Funktionalität adaptiver Emotionen

Cavity-enhanced high harmonic generation for XUV time-resolved ARPES

With its direct correspondence to electronic structure, angle-resolved photoemission spectroscopy (ARPES) is a ubiquitous tool for the study of solids. When extended to the temporal domain, time-resolved (TR)-ARPES offers the potential to move beyond equilibrium properties, exploring both the unoccupied electronic structure as well as its dynamical response under ultrafast perturbation. Historically, ultrafast extreme ultraviolet (XUV) sources employing high-order harmonic generation (HHG) have required compromises that make it challenging to achieve a high energy resolution - which is highly desirable for many TR-ARPES studies - while producing high photon energies and a high photon flux. We address this challenge by performing HHG inside a femtosecond enhancement cavity (fsEC), realizing a practical source for TR-ARPES that achieves a flux of over 10$^{11}$ photons/s delivered to the sample, operates over a range of 8-40 eV with a repetition rate of 60 MHz. This source enables TR-ARPES studies with a temporal and energy resolution of 190 fs and 22 meV, respectively. To characterize the system, we perform ARPES measurements of polycrystalline Au and MoTe$_2$, as well as TR-ARPES studies on graphite.Comment: 11 pages, 5 figure

Somatostatin subtype-2 receptor-targeted metal-based anticancer complexes

Conjugates of a dicarba analogue of octreotide, a potent somatostatin agonist whose receptors are overexpressed on tumor cells, with [PtCl 2(dap)] (dap = 1-(carboxylic acid)-1,2-diaminoethane) (3), [(η 6-bip)Os(4-CO 2-pico)Cl] (bip = biphenyl, pico = picolinate) (4), [(η 6-p-cym)RuCl(dap)] + (p-cym = p-cymene) (5), and [(η 6-p-cym)RuCl(imidazole-CO 2H)(PPh 3)] + (6), were synthesized by using a solid-phase approach. Conjugates 3-5 readily underwent hydrolysis and DNA binding, whereas conjugate 6 was inert to ligand substitution. NMR spectroscopy and molecular dynamics calculations showed that conjugate formation does not perturb the overall peptide structure. Only 6 exhibited antiproliferative activity in human tumor cells (IC 50 = 63 ± 2 μ in MCF-7 cells and IC 50 = 26 ± 3 μ in DU-145 cells) with active participation of somatostatin receptors in cellular uptake. Similar cytotoxic activity was found in a normal cell line (IC 50 = 45 ± 2.6 μ in CHO cells), which can be attributed to a similar level of expression of somatostatin subtype-2 receptor. These studies provide new insights into the effect of receptor-binding peptide conjugation on the activity of metal-based anticancer drugs, and demonstrate the potential of such hybrid compounds to target tumor cells specifically. © 2012 American Chemical Society

Quantum oscillations in the type-II Dirac semi-metal candidate PtSe2

Three-dimensional topological semi-metals carry quasiparticle states that mimic massless relativistic Dirac fermions, elusive particles that have never been observed in nature. As they appear in the solid body, they are not bound to the usual symmetries of space-time and thus new types of fermionic excitations that explicitly violate Lorentz-invariance have been proposed, the so-called type-II Dirac fermions. We investigate the electronic spectrum of the transition-metal dichalcogenide PtSe2 by means of quantum oscillation measurements in fields up to 65 T. The observed Fermi surfaces agree well with the expectations from band structure calculations, that recently predicted a type-II Dirac node to occur in this material. A hole- and an electron-like Fermi surface dominate the semi-metal at the Fermi level. The quasiparticle mass is significantly enhanced over the bare band mass value, likely by phonon renormalization. Our work is consistent with the existence of type-II Dirac nodes in PtSe2, yet the Dirac node is too far below the Fermi level to support free Dirac-fermion excitations