English

Band offsets at the interfaces between $\beta$-Ga$_2$O$_3$ and Al$_2$O$_3$

Materials Science 2022-09-15 v1

Abstract

The band offsets and the chemical bonding at the interfaces between (-201) β\beta-Ga2_2O3_3 and Al2_2O3_3 polymorphs are studied through hybrid functional calculations. For alumina, we consider four representative phases, i.e., α\alpha, κ\kappa, θ\theta and γ\gamma-Al2_2O3_3. We generate realistic slab models for the interfaces which satisfy electron counting rules. The O atoms bridge the β\beta-Ga2_2O3_3 and Al2_2O3_3 slabs and all the dangling bonds are saturated. The band offsets are obtained by applying an alignment scheme which requires separate bulk and interface calculations. The calculated band offsets are useful for the design of devices based on the β\beta-Ga2_2O3_3/Al2_2O3_3heterojunctions, particularly β\beta-Ga2_2O3_3 metal-oxide semiconductor field effect transistors.

Keywords

Cite

@article{arxiv.2209.06739,
  title  = {Band offsets at the interfaces between $\beta$-Ga$_2$O$_3$ and Al$_2$O$_3$},
  author = {Sai Lyu},
  journal= {arXiv preprint arXiv:2209.06739},
  year   = {2022}
}