Tight-binding calculations on the electronic structure of neutral divacancies in the Ga-related III-V compound semiconductors

The neutral divacancies in the Ga-related III-V compound semiconductors were studied using tight-binding calculations of their electronic structure. The calculations were based on the recursion method and supercell approximation. It was shown that each divacancy introduces seven defect levels with three located at the edges of the lower gap and four in the fundamental band gap. It was also shown that the last occupied a1 and e fundamental gap in the neutral divacancy of the three Ga-related III-V compound semiconductors stay at close energies and have different localization characters.