In this work, we present a comprehensive theoretical and experimental study of quantum confinement in layered platinum diselenide (PtSe₂) films as a function of film thickness. Our electrical measurements, in combination with density functional theory calculations, show distinct layer-dependent semimetal-to-semiconductor evolution in PtSe₂ films, and highlight the importance of including van der Waals interactions, Green’s function calibration, and screened Coulomb interactions in the determination of the thickness-dependent PtSe₂ energy gap. Large-area PtSe₂ films of varying thickness (2.5–6.5 nm) were formed at 400 °C by thermally assisted conversion of ultra-thin platinum films on Si/SiO₂ substrates. The PtSe₂ films exhibit p-type semiconducting behavior with hole mobility values up to 13 cm²/V·s. Metal-oxide-semiconductor field-effect transistors have been fabricated using the grown PtSe₂ films and a gate field-controlled switching performance with an I_ON/I_OFF ratio of >230 has been measured at room temperature for a 2.5–3 nm PtSe₂ film, while the ratio drops to <2 for 5–6.5 nm-thick PtSe₂ films, consistent with a semiconducting-to-semimetallic transition with increasing PtSe₂ film thickness. These experimental observations indicate that the low-temperature growth of semimetallic or semiconducting PtSe₂ could be integrated into the back-end-of-line of a silicon complementary metal-oxide-semiconductor process.

在这项工作中，我们提供了关于层状二硒化铂（PtSe ₂）薄膜中量子约束与薄膜厚度的函数的综合理论和实验研究。我们的电学测量与密度泛函理论计算相结合，显示了PtSe ₂膜中层间从半金属到半导体的明显不同演化，并强调了在测定中包括范德华相互作用，格林函数校准和筛选的库仑相互作用的重要性取决于厚度的PtSe ₂能隙。通过在Si / SiO ₂上热辅助转化超薄铂膜，在400°C的条件下，形成了厚度变化较大的大面积PtSe ₂膜（2.5–6.5 nm）。基材。PtSe ₂膜表现出p型半导体行为，空穴迁移率值高达13 cm ² / V·s。使用生长的PtSe ₂膜制造了金属氧化物半导体场效应晶体管，并且在室温下对2.5-3 nm PtSe测量了I _ON / I _OFF比> 230的栅极场控开关性能。₂薄膜，而对于5–6.5 nm厚的PtSe ₂薄膜，该比率下降至<2，这与随着PtSe _2的增加从半导体到半金属的转变相一致膜厚。这些实验观察表明，半金属或半导体PtSe ₂的低温生长可以整合到硅互补金属氧化物半导体工艺的生产线后端。