Theory of band gaps in nano-porous SiC

ORAL

Abstract

Nano-porous SiC is an insulator used as a back-end-of-the-line dielectric in scaled integrated circuits. In the present study, nano-porous SiC atomic models are created from cubic SiC supercells. First, pores of varying sizes are created and hydrogen passivated. Then, bond switching techniques are applied to create models with variable bond densities and bond types. Density functional theory calculations are used to determine the model’s physical and electronic properties including band gaps. We apply linear regression and random forest techniques to explore the role of bonding on the bandgaps of nano-porous SiC alloys.

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Presenters

  • Blair Tuttle

    Penn State Erie

Authors

  • Blair Tuttle

    Penn State Erie

  • Colton Barger

    Penn State Erie

  • Andrew O'Hara

    Physics, Vanderbilt University, Department of Physics and Astronomy, Vanderbilt University

  • Sokrates T Pantelides

    Department of Physics and Astronomy, Vanderbilt University, Vanderbilt University, physics, Vanderbilt University, Physics, Vanderbilt University, Department of Physics and Astronomy and Department of Electrical Engineering and Computer Science, Vanderbilt University, Dept. of Physics and Astronomy, Vanderbilt University, USA