The energetic properties of M-center diffusion, excitons near M 2+ , M + , M, M -and M 2-centers and adsorptivity of H and He atoms over defect free and defect containing surfaces of KBr using Density Functional Theory (DFT) calculations are discussed.The results clarify that: (i) The calculated barriers for diffusing M-center in its lowest triplet excited state is similar to those in its singlet ...
The energetic properties of M-center diffusion, excitons near M 2+ , M + , M, M -and M 2-centers and adsorptivity of H and He atoms over defect free and defect containing surfaces of KBr using Density Functional Theory (DFT) calculations are discussed.The results clarify that: (i) The calculated barriers for diffusing M-center in its lowest triplet excited state is similar to those in its singlet ...