Measurement of magnetic exchange in ferromagnet-superconductor La2/3Ca1/3MnO3/YBa2Cu3O7 bilayers.

The existence of coherent magnetic correlations in the normal phase of cuprate high-temperature superconductors has proven difficult to measure directly. Here we report on a study of ferromagnetic-superconductor bilayers of La2/3Ca1/3MnO3/YBa2Cu3O7 (LCMO/YBCO) with varying YBCO layer thicknesses. Using x-ray magnetic circular dichroism, we demonstrate that the ferromagnetic layer induces a Cu magnetic moment in the adjacent high-temperature superconductor. For thin samples, this moment exists at all temperatures below the Curie temperature of the LCMO layer. However, for a YBCO layer thicker than 12 unit cells, the Cu moment is suppressed for temperatures above the superconducting transition, suggesting this to be a direct measurement of magnetic coherence in the normal state of a superconducting oxide.

Fermi surface of an important nanosized metastable phase: Al3Li.

Nanoscale particles embedded in a metallic matrix are of considerable interest as a route towards identifying and tailoring material properties. Al-Li alloys, which form ordered nanoscale precipitates of Al(3)Li for a range of concentrations, have been deployed successfully in the aerospace industry owing to their superior strength-to-weight ratio. The precipitates are metastable and their electronic structure has so far been inaccessible through conventional techniques. Here, we take advantage of the strong positron affinity of Li to probe the Fermi surface of nanoscale Al(3)Li precipitates.

Bulk spin polarization of Co(1-x)Fe(x)S2.

We report on a new method to determine the degree of bulk spin polarization in single crystal Co(1-x)Fe(x)S2 by modeling magnetic Compton scattering with ab initio calculations. Spin-dependent Compton profiles were measured for CoS2 and Co0.9Fe0.1S2. The ab initio calculations were then refined by rigidly shifting the bands to provide the best fit between the calculated and experimental directional profiles for each sample. The bulk spin polarizations, P, corresponding to the spin-polarized density of states at the Fermi level, were then extracted from the refined calculations. The values were found to be P=-72+/-6% and P=18+/-7% for CoS2 and Co0.9Fe0.1S2, respectively. Furthermore, determinations of P weighted by the Fermi velocity (v(F) or v(F)2) were obtained, permitting a rigorous comparison with other experimental data and highlighting the experimental dependence of P on v(F).

How to estimate isotropic distributions and mean values in crystalline solids.

The concept of special directions in the Brillouin zone and the applicability of Houston's formula (or its extended versions) to both theoretical and experimental investigations are discussed. We propose some expressions to describe the isotropic component in systems having both cubic and non-cubic symmetry. The results presented have implications for both experimentalists who want to obtain average properties from a small number of measurements on single crystals, and for theoretical calculations which are to be compared with isotropic experimental measurements, for example coming from investigations of polycrystalline or powder samples. As George Orwell might have put it: all directions are equal, but some directions are more equal than others.

Calculating electron momentum densities and Compton profiles using the linear tetrahedron method.

A method for computing electron momentum densities and Compton profiles from ab initio calculations is presented. Reciprocal space is divided into optimally-shaped tetrahedra for interpolation, and the linear tetrahedron method is used to obtain the momentum density and its projections such as Compton profiles. Results are presented and evaluated against experimental data for Be, Cu, Ni, Fe3Pt, and YBa2Cu4O8, demonstrating the accuracy of our method in a wide variety of crystal structures.

Fermi surface properties of AB3 (A = Y, La; B = Pb, In, Tl) intermetallic compounds under pressure.

The electronic structures, densities of states, Fermi surfaces and elastic properties of AB3 (A =La, Y; B =Pb, In, Tl) compounds are studied under pressure using the full-potential linear augmented plane wave (FP-LAPW) method within the local density approximation for the exchange-correlation functional and including spin-orbit coupling. Fermi surface topology changes are found for all the isostructural AB3 compounds under compression (at V/V0 = 0.90 for LaPb3 (pressure = 8 GPa), at V/V0 = 0.98 for AIn3 (pressure = 1.5 GPa), at V/V0 = 0.80 for ATl3 (pressure in excess of 18 GPa)) apart from YPb3, although its electronic structure at zero pressure is very similar to that of LaPb3. For LaPb3 a softening of the C44 elastic constant under pressure (equivalent to 8 GPa) may be related to the appearance of a new hole pocket around the X point. From the calculated elastic properties and other mechanical properties, all the compounds investigated are found to be ductile in nature with elastic anisotropy. The states at the Fermi level (EF) are dominated by B p states with significant contributions from the A d states. For the La compounds, small hybridizations of the La f states also occur around EF.

Spin and orbital Ti magnetism at LaMnO3/SrTiO3 interfaces.

In systems with strong electron-lattice coupling, such as manganites, orbital degeneracy is lifted, causing a null expectation value of the orbital magnetic moment. Magnetic structure is thus determined by spin-spin superexchange. In titanates, however, with much smaller Jahn-Teller distortions, orbital degeneracy might allow non-zero values of the orbital magnetic moment, and novel forms of ferromagnetic superexchange interaction unique to t(2g) electron systems have been theoretically predicted, although their experimental observation has remained elusive. In this paper, we report a new kind of Ti(3+) ferromagnetism at LaMnO(3)/SrTiO(3) epitaxial interfaces. It results from charge transfer to the empty conduction band of the titanate and has spin and orbital contributions evidencing the role of orbital degeneracy. The possibility of tuning magnetic alignment (ferromagnetic or antiferromagnetic) of Ti and Mn moments by structural parameters is demonstrated. This result will provide important clues for understanding the effects of orbital degeneracy in superexchange coupling.

Observation of a strongly nested Fermi surface in the shape-memory alloy Ni0.62Al0.38.

The Fermi surface topology of the shape-memory alloy Ni0.62Al0.38 has been determined using Compton scattering. A large area of this Fermi surface can be made to nest with other areas by translation through a vector of approximately 0.18[1,1,0](2pi/a), which corresponds to the wave vector associated with martensitic precursor phenomena such as phonon softening and diffuse streaking in electron diffraction patterns. This observation is compelling evidence that these phenomena are driven by the enhanced electron-lattice coupling due to the Fermi surface nesting.

Longitudinal spin fluctuations and superconductivity in ferromagnetic ZrZn2 from Ab initio calculations.

The recent discovery of superconductivity coexisting with weak itinerant ferromagnetism in the d-electron intermetallic compound ZrZn2 strongly suggests spin-fluctuation mediated superconductivity. Ab initio electronic structure calculations of the Fermi surface and generalized susceptibilities are performed to investigate the viability of longitudinal spin-fluctuation-induced spin-triplet superconductivity in the ferromagnetic state. The critical temperature is estimated to be of the order of 1 K. Additionally, it is shown that in spite of a strong electron-phonon coupling ( lambda(ph) = 0.7), conventional s-wave superconductivity is inhibited by the presence of strong spin fluctuations.

Heavy quasiparticles in the ferromagnetic superconductor ZrZn2.

We report a study of the de Haas-van Alphen effect in the normal state of the ferromagnetic superconductor ZrZn2. Our results are generally consistent with a linear muffin-tin orbital band structure which predicts four exchange-split Fermi surface sheets. Quasiparticle effective masses are enhanced by a factor of 4.9 implying a strong coupling to magnetic excitations or phonons. ZrZn2 is unique among metallic ferromagnets in that it has a very large density of states in the ferromagnetic phase.

Fermi surface nesting in disordered Cu1-xPdx alloys.

The concentration-dependent position of the diffuse peaks in electron and x-ray diffraction patterns of Cu1-xPdx alloys in the disordered state is attributed to Fermi surface nesting. We present the first experimentally determined Fermi surfaces of Cu0.72Pd0.28 and Cu0.6Pd0.4, and show that they do indeed possess significant flat areas capable of nesting. Moreover, the magnitudes of the nesting vectors are in excellent agreement with those deduced from electronic structure calculations and diffraction experiments.

Direct observation of the multisheet Fermi surface in the strongly correlated transition metal compound ZrZn2.

The existence of flat areas of a Fermi surface (FS), predicted by electronic structure calculations and used in models of both magnetically mediated and phonon-mediated Fulde-Ferrell-Larkin-Ovchinnikov superconducting states, is reported in the paramagnetic phase of the ferromagnetic superconductor ZrZn2 using positron annihilation. The strongly mass-renormalized FS sheet, dominating the Fermi level density of states, is seen for the first time. The delocalization of the magnetization is studied using measured and calculated magnetic Compton profiles.