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Although the behavior of T (E) with respect to E is not spiky, I computed the current by the integration so as to minimize the numerical error arising from the offset of the Fermi energy, which is derived by the periodic system in the z direction. However, my conclusion is not affected when the integration range changes.
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Although the behavior of T (E) with respect to E is not spiky, I computed the current by the integration so as to minimize the numerical error arising from the offset of the Fermi energy, which is derived by the periodic system in the z direction. However, my conclusion is not affected when the integration range changes.
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Since the local density approximation seriously underestimates the gap between the valence and conduction bands, which results in the overestimate of the leakage current, I discuss only the ratio of the leakage current qualitatively.
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Since the local density approximation seriously underestimates the gap between the valence and conduction bands, which results in the overestimate of the leakage current, I discuss only the ratio of the leakage current qualitatively.
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