Abstract
A complete theory is the guide and explanation of the experiment. According to the first principle, the stable structure of Ge vacancy color center (GeV) is the double vacancy center structure by using the constructed GeV color center supercell. The covalent radius and bond angle of GeV are explored by analyzing the microstructures. The electronic structure of GeV color center is calculated, and the charge transfers of GeV color center are explained, thereby demonstrating the existence of stable bonds. The principle of the energy-level transition of the GeV color center in terms of light emission is described. The effect of each element and energy level orbital is illustrated by the density-of-states diagram.
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