Advanced Computational Insights Into the Optical, Electronic, and Thermoelectric Characteristics of Novel Rare‐Earth Ternary Chalcogenides
Abdelhay Salah Mohamed,
Faheem Abbas
Abstract:Rare‐earth ternary materials are distinguished by their tunable optoelectronic characteristics and high thermal stability. First principles computations examine the intricate interaction of novel rare‐earth‐based ternary chalcogenide's electronic, optical, and thermoelectric properties. The spin‐down channel of PrHSe exhibits a substantial energy gap resulting in half‐metallic behavior. The f orbitals of Pr and Er play an important role in forming bonds with Se and H atoms, contributing significantly to the va… Show more
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