The study of magnetic properties in semiconductors using first-principles calculations has emerged as a pivotal area in material science, merging fundamental quantum mechanical theories with advanced ...

This review paper published in AI & Materials explores the implementation of first-principles calculation method within high-entropy carbides ceramics (HECCs) research, specifically examining its role ...

Formation of defect-pairs in GaN under high-energy particle irradiation. Courtesy: S Chen Gallium nitride (GaN) is the world’s second-favourite semiconductor, present in devices ranging from ...

A new framework for understanding the non-monotonic temperature dependence and sign reversal of the chirality-related ...