Fundamentals and Physical Properties of Heusler Alloys

This book presents a comprehensive investigation of the structural, electronic, elastic, and magnetic properties of Heusler alloys through a combination of theoretical modeling and experimental investigation, with particular emphasis on their potential for advanced multifunctional technological applications.

The first part focuses on the X2CrSb alloys (X = Mn, Co, Cu), investigated using Density Functional Theory. The results reveal the significant influence of atomic composition, pressure, and structural stability on their electronic and magnetic properties. In particular, Mn2CrSb undergoes a pressure-induced structural transition while maintaining half-metallic behavior and high spin polarization under specific conditions. Co2CrSb also preserves its half-metallicity and high spin polarization under expansion, whereas Cu2CrSb exhibits weaker spin polarization. These characteristics highlight the potential of Mn2CrSb and Co2CrSb for spintronic applications, including magnetic random-access memory, magnetic tunnel junctions, and spin valves, while the metallic character of Cu2CrSb suggests potential applications in pressure- and strain-sensing technologies.

The book also presents an experimental investigation of the quaternary Heusler system Co(2-x)Fe(x)CrSn (x = 0, 0.5, 1). Structural and microscopic analyses reveal the formation of a primary hexagonal phase, accompanied by the emergence of a secondary cubic phase with partial Fe substitution. The stabilization of a hexagonal phase in this quaternary system represents an uncommon feature among Heusler compounds and provides valuable insight into the role of atomic substitution in controlling their structural and physical properties.

By combining computational predictions with experimental observations, this work provides a comprehensive perspective on the versatility of Heusler alloys and their potential for the development of functional materials. The findings contribute to a deeper understanding of structure–property relationships and offer promising perspectives for applications in spintronics, magnetic sensing, and other emerging technologies.