A numerical modelling study of Ti ₃ C ₂ T _X /n-Ge Schottky heterostructures: Identifying performance bottlenecks for future device optimisation

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Chinese explanation / 中文解读

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Original abstract

Abstract MXene-based rectifying contacts on germanium have attracted growing interest for Schottky diodes, photodetectors, and transistor applications, yet the mechanisms that limit their electrical performance remain poorly quantified and understood. This matter is addressed herein through a numerical simulation study of Ti 3 C 2 T X MXene/n-Ge Schottky heterostructures calibrated and validated against experimentally reported dark current–voltage characteristics. A non-ideal Schottky contact model has been developed, incorporating several key factors: Schottky contact series resistance, internal shunt conductance, barrier lowering, and interface recombination. Each parameter has been quantified through careful fitting to measured data. The calibrated model reproduces the experimental curves with close agreement across both forward and reverse bias regimes, confirming the dominant role of these non-idealities in shaping the behaviour of these devices. A parametric sensitivity analysis reveals how each parameter individually alters the ideal device response and identifies the bias regions mostly affected. The extracted parameter values and their physical origins are discussed in the context of MXene thinfilm quality, interface chemistry, and contact processing, translating the simulation insights into guidelines for future experimental device optimisation. This aims at accelerating the development of next-generation MXene/Ge Schottky heterostructures, enhancing rectification and reducing parasitic losses.

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