Novel sp Heusler alloys for spintronic devices: ab initio insight

This comprehensive book presents a systematic investigation of novel sp-type Heusler alloys KMgNO and KMgNS and their doped systems for next-generation spintronic applications. Through rigorous first-principles calculations, the work explores:I. Core Focus: 1. Structural and electronic properties of half-metallic ferromagnetic Heusler alloys. 2. Mechanical stability and thermodynamic properties for practical device integration. 3. Spin-polarized electronic structure analysis for 100% spin-polarized current generationII. Key Features: 1. Half-Metallic Character: Demonstration of complete spin polarization at Fermi level with significant minority-spin band gaps.2. Mechanical Robustness: Verification of mechanical stability through elastic constant calculations.3. High Curie Temperatures: Prediction of ferromagnetic ordering above room temperature for practical applications.4. Doping Engineering: Systematic study of elemental substitution effects on electronic and magnetic properties.