Structural and physical properties of the high-entropy alloy were studied by x-ray powder diffraction, energy dispersive x-ray spectroscopy, magnetization, electrical resistivity, and specific heat measurements. The experimental results were supported by theoretical calculations using two complementary approaches for electronic structure calculations: the Korringa-Kohn-Rostoker method with the coherent potential approximation (KKR-CPA) and projector augmented wave (PAW) within the density functional theory. It was found that the alloy forms with a cubic, body-centered structure (space group , W-type structure) with a lattice parameter Å and a random (but microscopically homogeneous) distribution of the constituent elements. At high temperature the alloy exhibits simple metallic behavior, while at low temperature it becomes a type-II superconductor with the critical temperature K and the upper critical field T. The electron-phonon coupling constant calculated from the PAW data, , is in perfect agreement with the experimental results.
Th-containing superconducting high entropy system with the nominal composition (NbTa) $$_{0.67}$$ (MoWTh) $$_{0.33}$$ was synthesized. Its structural and physical properties were investigated by X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectroscopy, specific heat, resistivity and magnetic measurements. Two main phases of alloy were observed: major bcc structure and minor fcc. The experimental results were supported by numerical simulation by the DFT Korringa-Kohn-Rostoker method with the coherent potential approximation (KKR-CPA).
A comparison of the results of studies on the influence of structural defects on the critical parameters of superconductivity has been made for the high-entropy alloy (NbTa)(MoHfW) and for the conventional superconducting magnet material Nb-47wt%Ti. Positron annihilation lifetime spectroscopy (PALS), electrical resistivity, magnetization and magnetic susceptibility measurements were used. In addition, X-ray powder diffraction studies were performed on the high-entropy alloy (NbTa)(MoHfW). Due to the rapid cooling of the materials after melting in the arc furnace, they contain a higher concentration of structural defects compared to the heat-treated materials. Magnetic property measurements showed that both the critical temperatures and the upper critical fields of bulk superconductivity-related materials are improved in the presence of structural defects.
4 July 2022 in Journal of Magnetism and Magnetic Materials