Wimmer, Y; El-Sayed, A-M; Goes, W; Grasser, T; Shluger, AL; (2016) Role of hydrogen in volatile behaviour of defects in SiO2-based electronic devices. Proceedings of the Royal Society A , 472 (2190) , Article 2016009. 10.1098/rspa.2016.0009.

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Abstract

Charge capture and emission by point defects in gate oxides of metal–oxide–semiconductor field-effect transistors (MOSFETs) strongly affect reliability and performance of electronic devices. Recent advances in experimental techniques used for probing defect properties have led to new insights into their characteristics. In particular, these experimental data show a repeated dis- and reappearance (the so-called volatility) of the defect-related signals. We use multiscale modelling to explain the charge capture and emission as well as defect volatility in amorphous SiO2 gate dielectrics. We first briefly discuss the recent experimental results and use a multiphonon charge capture model to describe the charge-trapping behaviour of defects in silicon-based MOSFETs. We then link this model to ab initio calculations that investigate the three most promising defect candidates. Statistical distributions of defect characteristics obtained from ab initio calculations in amorphous SiO2 are compared with the experimentally measured statistical properties of charge traps. This allows us to suggest an atomistic mechanism to explain the experimentally observed volatile behaviour of defects. We conclude that the hydroxyl-E′ centre is a promising candidate to explain all the observed features, including defect volatility.

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