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jackwangsg
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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
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