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cond-mat.mtrl-sci2026
Y2CdX4 (X = S, Se, Te) Semiconductors: A First-Principles Study of Structural, Electronic, Optical, and Energy-Related Properties
Faiq Umar, Sikander Azam
We present a comprehensive density functional theory (DFT) investigation of the structural, mechanical, electronic, optical, thermoelectric, and bonding properties of Y2CdX4 (X = S…
cond-mat.mtrl-sci2025
Orbital-Engineered Spin Asymmetry and Multifunctionality in Eu-Activated CaAlSiN: A First-Principles Roadmap to Optical-Thermoelectric Fusion
Muhammad Tayyab, Faiq Umar, Sikander Azam +5
Rare-earth-doped nitride phosphors are promising materials for solid-state lighting and photonic applications due to their thermal stability, sharp emission lines, and strong UV-bl…