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This study investigates the structural, electronic, and optical properties of half-Heusler alloys LiMgN, NaMgN, and KMgN using the full-potential linearized-augmented plane wave (FP-LAPW) method based on density functional theory (DFT). The results indicate that these materials exhibit promising properties for various applications, with calculated values for lattice constants, band gaps, and optical characteristics aligning well with previous experimental and theoretical findings. The study highlights the p

Author

sajjad

Language

EN