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

In summary, the conversation discusses the charge range for two N vacancies in defect formation energy calculations for defect crystal. While chemistry suggests that two N vacancies should have a maximum charge of +6, most references still use the range [0,+3]. The conversation also mentions the involvement of neighboring C atoms and the notation of [0,+3] possibly corresponding to it.
  • #1
jackwangsg
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TL;DR Summary
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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  • #2
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 ?
 

1. What is a vacancy in a charged state?

A vacancy in a charged state refers to an empty space or defect in the atomic structure of a material that has an excess or deficiency of electrons, resulting in a net positive or negative charge.

2. How do vacancies become charged?

Vacancies can become charged through a process called ionization, where an electron is either added or removed from the vacancy, resulting in a net charge.

3. What is the significance of charged vacancies in materials?

Charged vacancies can significantly affect the properties of materials, such as their electrical conductivity, thermal conductivity, and magnetic properties. They can also play a role in the formation of defects and influence the material's overall stability and reactivity.

4. Can charged vacancies be controlled or manipulated?

Yes, charged vacancies can be controlled and manipulated through various methods, such as doping, which involves intentionally introducing impurities into the material to alter the charge state of vacancies. Additionally, external stimuli, such as temperature and pressure, can also affect the charge state of vacancies.

5. Are charged vacancies only present in solid materials?

No, charged vacancies can also exist in liquids and gases, although they may behave differently compared to solid materials due to the difference in atomic structure and bonding. In liquids and gases, vacancies may be more mobile and can participate in chemical reactions, whereas in solids, they are typically more localized and stable.

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