What is the charge range for two N vacancies in a defect crystal?

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SUMMARY

The charge range for two nitrogen (N) vacancies in a defect crystal is typically considered to be [0, +3], despite theoretical calculations suggesting a maximum charge of +6. This discrepancy arises from the understanding of defect formation energy and the electron contributions from neighboring carbon (C) atoms and the nitrogen atom itself. The notation [0, +3] reflects the common interpretation of the charge states in existing literature, which may not fully account for all electron interactions involved in the defect structure.

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one vacancy have different charged state, for example one N vacancy range [0,+3], what the charge range for two N vacancies?
Hi, all
I am studying the defect formation energy calculations for defect crystal. One vacancy have different charged state, for example one N vacancy range [0,+3], what the charge range for two N vacancies? From chemistry, two N vacancies should be have max charge: +6. However, most reference still use the charge range [0,+3]. how to explain this ? Thank you
 
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I am not accustomed to your [0,+3]. Referring to https://en.wikipedia.org/wiki/Nitrogen-vacancy_center, I understand that at the vacancy 3 electrons come from neighboring C atoms, an electron pair come from N atom and frequently one electron come from outside to become ##NV^-## so total six electrons are involved. May I understand that your [0,+3] notation correspond to it ?
 

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