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Native Point Defects in yttria as a High-Dielectric-Constant Gate Oxide Material: A First-Principles Study
Yttria (Y₂O₃) has become a promising gate oxide material to replace silicon dioxide in metal-oxide-semiconductor (MOS) devices. The characterization of native point defect in Y₂O₃ is essential to understand the behavior ...
First-Principles Study of Point Defects in LaAlO₃
In this study, the native point defects including oxygen vacancy and interstitial, metal (La, Al) vacancy and interstitial, and metal antisite in perovskite LAO are studied. Defect formation energies are studied as a ...