First-Principles Study on Leakage Current through Si/SiO${}_2$ Interface

Abstract

The relationship between the presence of defects at the stacking structure of the Si/SiO${}_2$ interface and leakage current is theoretically studied by first-principles calculation. I found that the leakage current through the interface with dangling bonds is 530 times larger than that without any defects, which is expected to lead to dielectric breakdown. The direction of the dangling bonds is closely related to the performance of the oxide as an insulator. In addition, it is proved that the termination of the dangling bonds by hydrogen atoms is effective for reducing the leakage current.

11 pages. to be published in Phys. Rev. B

References in corpus (4)

• A real-space grid implementation of the Projector Augmented Wave method
• Real-space electronic-structure calculations with timesaving double-grid technique
• Real space finite difference method for conductance calculations
• First-principles study on dielectric properties of NaCl crystal and ultrathin NaCl films under finite external electric field

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