No Arabic abstract
The finite-temperature magnetic properties of Fe$_x$Pd$_{1-x}$ and Co$_x$Pt$_{1-x}$ alloys have been investigated. It is shown that the temperature-dependent magnetic behaviour of alloys, composed of originally magnetic and non-magnetic elements, cannot be described properly unless the coupling between magnetic moments at magnetic atoms (Fe,Co) mediated through the interactions with induced magnetic moments of non-magnetic atoms (Pd,Pt) is included. A scheme for the calculation of the Curie temperature ($T_C$) for this type of systems is presented which is based on the extended Heisenberg Hamiltonian with the appropriate exchange parameters $J_{ij}$ obtained from {em ab-initio} electronic structure calculations. Within the present study the KKR Greens function method has been used to calculate the $J_{ij}$ parameters. A comparison of the obtained Curie temperatures for Fe$_x$Pd$_{1-x}$ and Co$_x$Pt$_{1-x}$ alloys with experimental data shows rather good agreement.
We study the low-temperature electrical and thermal conductivity of CoSi and Co$_{1-x}$M$_x$Si alloys (M = Fe, Ni; $x leq$ 0.06). Measurements show that the low-temperature electrical conductivity of Co$_{1-x}$Fe$_{x}$Si alloys decreases at $x > $ 0.01 by an order of magnitude compared with that of pure CoSi. It was expected that both the lattice and electronic contributions to thermal conductivity would decrease in the alloys. However, our experimental results revealed that at temperatures below 20K the thermal conductivity of Fe- and Ni-containing alloys is several times larger than that of pure CoSi. We discuss possible mechanisms of the thermal conductivity enhancement. The most probable one is related to the dominant scattering of phonons by charge carriers. We propose a simple theoretical model that takes into account the complex semimetallic electronic structure of CoSi with nonequivalent valleys, and show that it explains well the increase of the lattice thermal conductivity with increasing disorder and the linear temperature dependence of the thermal conductivity in the Co$_{1-x}$Fe$_x$Si alloys below 20K.
The composition-dependent behavior of the Dzyaloshinskii-Moriya interaction (DMI), the spin-orbit torque (SOT), as well as anomalous and spin Hall conductivities of Mn$_{1-x}$Fe$_x$Ge alloys have been investigated by first-principles calculations using the relativistic multiple scattering Korringa-Kohn-Rostoker (KKR) formalism. The $D_{rm xx}$ component of the DMI exhibits a strong dependence on the Fe concentration, changing sign at $x approx 0.85$ in line with previous theoretical calculations as well as with experimental results demonstrating the change of spin helicity at $x approx 0.8$. A corresponding behavior with a sign change at $x approx 0.5$ is predicted also for the Fermi sea contribution to the SOT, as this is closely related to the DMI. In the case of anomalous and spin Hall effects it is shown that the calculated Fermi sea contributions are rather small and the composition-dependent behavior of these effects are determined mainly by the electronic states at the Fermi level. The spin-orbit-induced scattering mechanisms responsible for both these effects suggest a common origin of the minimum of the AHE and the sign change of the SHE conductivities.
For powder samples of CuAl$_{1-x}$Fe$_x$O$_2$ ($x =$ 0, 0.01, 0.05, and 0.1), measured optical properties are compared with model simulations and phonon spectra are compared with simulations based on weighted dynamical matrix approach.
Neutron scattering has played a significant role in characterizing magnetic and structural correlations in Fe$_{1+y}$Te$_{1-x}$Se$_x$ and their connections with superconductivity. Here we review several key aspects of the physics of iron chalcogenide superconductors where neutron studies played a key role. These topics include the phase diagram of Fe$_{1+y}$Te$_{1-x}$Se$_{x}$, where the doping-dependence of structural transitions can be understood from a mapping to the anisotropic random field Ising model. We then discuss orbital-selective Mott physics in the Fe chalcogenide series, where temperature-dependent magnetism in the parent material provided one of the earliest cases for orbital-selective correlation effects in a Hunds metal. Finally, we elaborate on the character of local magnetic correlations revealed by neutron scattering, its dependence on temperature and composition, and the connections to nematicity and superconductivity.
The stabilities of $(BN)_x(C_2)_{1-x}$ alloys and related superlattices are investigated by ab initio pseudopotential calculations. We find that the $(BN)_1/(C_2)_1$ superlattices in (111) orientations have the lowest formation energy among many short-range ordered $BNC_2$ structures due to the smallest number of B-C and C-N bonds. Based on the calculated formation energies at several compositions and for various ordered structures and assuming thermodynamic equilibrium, the solid solution phase diagram of $(BN)_x(C_2)_{1-x}$ alloys is constructed. We find that the complete miscibility of $(BN)_x(C_2)_{1-x}$ alloys is possible, which is in contrast with previous theoretical predictions but in agreement with experimental reports.