@article{oai:repo.qst.go.jp:00049127, author = {Ivády, Viktor and Davidsson, Joel and Tien, Son Nguyen and Ohshima, Takeshi and A., Abrikosov Igor and Gali, Adam and 大島 武}, journal = {Materials Science Forum}, month = {Jun}, note = {Point defects in wide band gap semiconductors have outstanding potential for implementing room temperature quantum bits and single photon emitters. Silicon vacancy related color centers in 4H, 6H, and 15R-SiC are among the most studied quantum bits. The microscopic structures of these defects have been recently identified as isolated negatively charged silicon vacancy defects at the symmetrically non-equivalent silicon sites in SiC. In this study, high precision ab initio simulations on negatively charged silicon vacancies in 4H and 6H-SiC were done. The most important magneto-optical data, such as the zero-phonon photoluminescence energies, the zero-field-splitting, and the hyperfine tensors for the nearest and farther nuclear spins were estimated.}, pages = {895--900}, title = {Ab Initio Theory of Si-Vacancy Quantum Bits in 4H and 6H-SiC}, volume = {924}, year = {2018} }