Synthesis, Properties and Bonding in Hume-Rothery Transition-metal Gallides and Indides

Abstract: In this work the intermetallic systems formed by transition-metals from group 5 to 9 with Ga, In and Zn have been experimentally and theoretically studied in detail. Syntheses, compositional analyses, X-ray and neutron diffraction (single crystal as well as powder) and measurements of physical properties, e.g. magnetic susceptibility and resistivity has been made for all compounds. Electronic-structure calculations has been made for all examined compounds and was used jointly with the experimental methods to get a deeper understanding of the main issues dealt with, i.e. the atomic structure, structural stability and bonding of the investigated compounds. The examined compounds crystallize in one of the three structure types PtHg4 (cubic, MnGa4 and CrGa4), V8Ga41 (trigonal, Cr8Ga29.8Zn11.2, Mn8Ga27.4Zn13.6, V8Ga36.9Zn4.1 and V8Ga41) and the FeGa3 type (tetragonal, FeGa3, CoGa3, CoGa2.76(2)Zn0.24(2), CoGa2.27(2)Zn0.73(2), CoIn3, CoIn2.50(1)Zn0.50(1), CoIn2.27(2)Zn0.73(2) and RuGa3). The important features such as atomic structure, electronic structure, structural stability and bonding in these groups of Hume-Rothery compounds are now well comprehended.