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20232025
most citedAccelerating Defect Predictions in Semiconductors Using Graph Neural Networks

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cond-mat.mtrl-sci2024

Thermodynamics and Kinetics of Ti2N Formation by N Atom Intercalation in Ti

J. Varalakshmi, Satyesh Kumar Yadav

Although Ti2N and Ti belong to different crystal systems and Bravais lattices, we show that N intercalation in Hexagonal Close-Packed (HCP) Ti can lead to the formation of Ti2N by…