Search

Angular-dependent de Haas-van Alphen measurements allow the mapping of Fermi surfaces in great detail with high accuracy. Density functional electronic-structure calculations can be carried out with high precision, but depend crucially on the used structural information and the applied calculational approximations. We report in a detailed study the sensitivity of the calculated electronic band structure of the 122 compound LaFe 2 P 2 on (i) the exact P position in the unit cell, parametrized by a so-called z parameter, and on (ii) the treatment of the La 4f  states. Depending on the chosen exchange and correlation-potential approximation, the calculated z parameter varies slightly and corresponding small but distinctive differences in the calculated band structure and Fermi-surface topology appear. Similarly, topology changes appear when the energy of the mostly unoccupied La 4f  states is corrected regarding their experimentally observed position. The calculated results are compared to experimental de Haas-van Alphen data. Our findings show a high sensitivity of the calculated band structure on the pnictide z position and the need for an accurate experimental determination of this parameter at low temperatures, and a particular need for a sophisticated treatment of the La 4f  states. Thus, this is not only crucial for the special case of LaFe 2 P 2 studied here, but of importance for the precise determination of the band structure of related 122 materials and La containing compounds in general.

Using magnetic torque measurements on a NaNiO(2) single crystal, we have established the magnetic phase diagram of this triangular compound. It presents five different phases depending on the temperature (4-300 K) and magnetic field (0-22 T) revealing several spin reorientations coupled to different magnetic anisotropies.

As ferromagnetism and superconductivity are usually considered to be antagonistic, the discovery of their coexistence in UGe(2), URhGe, UIr and UCoGe has attracted a lot of interest. The mechanism to explain such a state has, however, not yet been fully elucidated. In these compounds superconductivity may be unconventional: Cooper pairs could be formed by electrons with parallel spins and magnetic fluctuations might be involved in the pairing mechanism. URhGe becomes ferromagnetic below a Curie temperature of 9.5 K, with a spontaneous moment aligned to the c-axis. For temperatures below 260 mK and fields lower than 2 T, superconductivity was first observed in 2001. Recently, we discovered a second pocket of superconductivity. This new pocket of superconductivity appears at higher fields applied close to the b-axis, enveloping a sudden magnetic moment rotation transition at H(R) = 12 T. Detailed studies of the field induced metamagnetic transition and superconductivity are presented. The possibility that magnetic fluctuations emerging from a quantum critical point provide the pairing mechanism for superconductivity is discussed.