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In this work we study the Schottky barrier height (SBH) at the junctionbetween $\beta$-Ga$_2$O$_3$ and platinum, a system of great importance for thenext generation of high-power and high-temperature electronic devices.Specifically, we obtain interfacial atomic structures at different orientationsusing our structure matching algorithm and compute their SBH using electronicstructure calculations based on hybrid density functional theory. Theorientation and strain of platinum are found to have little impact on thebarrier height. In contrast, we find that decomposed water (H.OH), which couldbe present at the interface from Ga$_2$O$_3$ substrate preparation, has astrong influence on the SBH, in particular in the ($\overline{2}$01)orientation. The SBH can range from $\sim$2 eV for the pristine interface tonearly zero for the full H.OH coverage. This result suggests that SBH of$\sim$2~eV can be achieved for the Ga$_2$O$_3$($\overline{2}$01)/Pt junctionusing the substrate preparation methods that can reduce the amount of adsorbedwater at the interface.

Theoretical insights for Improving the Schottky-barrier Height at the Ga$_2$O$_3$/Pt Interface