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/Investigation of defects and their capture cross-sections with first-principles

Investigation of defects and their capture cross-sections with first-principles

PhD - Leuven | Just now

Identify critical defects for future semiconductors technologies using ab initio modeling
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Defects play an important role in the reliability of electronic devices. While their stability can effectively be described using first-principles methods, like Density Functional Theory, it is currently difficult to 1) include the effect of the embedding dielectric environment into the picture 2) estimate how much do the corresponding defect states in practice scatter carriers and their corresponding lifetimes.

During this PhD, the candidate will use first-principles software like ABINIT to estimate the defect cross-sections in GaN, MoS2, ... crystals. With this information, we will be more precisely able to identify which defects are detrimental for specific applications and suggest mitigation pathways. In parallel, the candidate will develop post-processing schemes to correct the defect energy levels in 2D materials for the effect of the dielectric embedding. 

This PhD will be be carried at imec Leuven within the atomistic modeling group and at KU Leuven.

 

 




 


 

Required background: Physics, Civil Engineering

Type of work: 70% simulations, 20% modeling, 10% literature

Supervisor: Michel Houssa (KU Leuven)

Daily advisor: Benoit Van Troeye

The reference code for this position is 2027-009. Mention this reference code in your application.

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