Experimental and theoretical investigation of the new, metastable compound Cr3Sb

Abstract

Abstract A new metastable compound Cr3Sb was synthesized as thin film starting from modulated elemental reactant layers. The new compound is cubic and crystallizes in the A15 structure (Cr3Si-type). A variation of the occupancy of the Sb position (0, 0, 0) was observed leading to a Cr-rich sample with formula Cr∼6Sb. In-situ X-ray diffraction and reflectivity investigations indicate an interdiffusion of the multilayers and crystallization of the new compound below 350°C. Calculations of the crystal structure and lattice parameter agree well with the experimental results. In addition the existence of a further metastable phase, a Heusler-like alloy, is discussed and supported by DFT calculations.