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First-principles studies of the intrinsic effect of nitrogen atoms on reduction in gate leakage current through Hf-based high- dielectrics
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14.Convergence of the calculational parameters are examined by using the cutoff energies of 25, and , and the point and the eight point samplings in BZ. The calculated total energy differences are found to converge within .
15.GGA framework adopted in this study essentially underestimates the band gap. Therefore, it is not concluded that real level is located above conduction band bottom of only from the present calculations. However, it is certain that the position of the level is drastically elevated by the effect of N atoms and that N incorporation surely reduces the gate leakage current.
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