Basic Properties of Well‐Known Intermetallics and Some New Complex Magnetic Intermetallics

Abstract

The structural, electronic, and magnetic properties of novel functional magnetic intermetallics, in particular some of the most prominent magnetic Heusler alloys, have been reviewed with emphasis on their complex magnetic behavior and nonergodic glassy features, in contrast to the well‐known properties ofTi‐NiandNi‐Alshape memory alloys. Calculational procedures have been listed throughout the text and the theoretical results have been compared with experimental findings where possible. The thermodynamic properties of a few systems (Ni–Co–Mn–In), which undergo a structural phase transformation of displacive nature in conjunction with a metamagnetic first‐order phase transition, have been discussed in detail. The importance of such magnetostructural phase transition together with the so‐called thermodynamic (kinetic) arrest phenomenon for the appearance of a giant magnetocaloric effect has been underlined. The list of references should allow bridging the gap between shape memory alloys such asTi–Ni(including recentab initiocalculations that explain the rapid decrease of the martensitic transformation temperature with disorder) and the “exotic properties” of the magnetic intermetallics.

DFT-GIPAW 27Al NMR Simulations for Intermetallics: Accuracy Issues and Magnetic Screening Mechanisms

“…Naturally, such scenario raises expectations about their use as new functional materials in basic research and industry . Among the diverse range of possibilities forming this class of compounds, Al-containing intermetallics are of great interest, not only for structural, as well as oxidation-, corrosion-, and sulfidation-resistant applications, but also for more advanced purposes when it comes to magnetic systems, due to properties like those related to magnetic shape memory and magnetocaloric effects . Moreover, given the widely assorted crystal chemistry of Al-containing intermetallics, any experimental procedure able to provide atomic-level information complementary to usual X-ray diffraction is of significant relevance for their development.…”