| Abstract [eng] |
The development of quantum technologies requires platforms that enable the realization of stable quantum states, as well as their reliable control and readout. Optically active deep-level point defects in semiconductors, also referred to as color centers, are among the most actively developed quantum platforms, often distinguished by their favorable optical and spin properties. The identification and characterization of such systems necessitate reliable theoretical methods capable of accurately describing the electronic, vibronic, and magnetic signatures of the defects. This dissertation analyzes several deep-level point defects in diamond and silicon that exhibit diverse electronic and vibronic behaviors. By combining density functional theory calculations with various theoretical approaches tailored for the description of statically correlated electronic systems, exciton-like excited states, and non-adiabatic phenomena, the optical lineshapes of these defects are modeled. The theoretical methods employed in this work allow for a more precise description of the optical properties of deep-level point defects in semiconductors and facilitate the interpretation of experimental data. |
