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Crystalline CaF2 is drawing huge attentions due to its great potential ofbeing the gate dielectric of two-dimensional (2D) material MOSFETs. It isdeemed to be much superior than boron nitride and traditional SiO2 because ofits larger dielectric constant, wider band gap, and lower defect density.Nevertheless, the CaF2-based MOSFETs fabricated in experiment still presentnotable reliability issues, and the underlying reason remains unclear. Here westudied the various intrinsic defects and adsorbates in CaF2/MoS2 andCaF2/MoSi2N4 interface systems to reveal the most active charge trappingcenters in CaF2-based 2D material MOSFETs. An elaborate Table that comparingthe importance of different defects in both n-type and p-type device isprovided. Most impressively, the oxygen molecules adsorbed at the interface orsurface, which are inevitable in experiments, are as active as the intrinsicdefects in channel materials, and they can even change the MoSi2N4 to p-typespontaneously. These results mean that it is necessary to develop high vacuumpackaging process as well as preparing high-quality 2D materials for betterdevice performance.

Distinguishing the importance of different charge trapping centers in CaF2-based 2D material MOSFETs