Theoretical Insights for Improving the Schottky-Barrier Height at the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:msub><mml:mi>Ga</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mn>3</mml:mn></mml:msub><mml:mrow><mml:mo>/</mml:mo><mml:mi>Pt</mml:mi></mml:mrow></mml:math> Interface

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