Yihuang Xiong1,Natalya Sheremetyeva1,Wei Chen2,Weiru Chen1,Diana Dahliah2,Céline Bourgois2,Sinead Griffin3,4,Alp Sipahigil5,4,3,Geoffroy Hautier1
Dartmouth College1,Universite Catholique de Louvain2,Lawrence Berkeley National Laboratory3,Lawrence Berkeley National Laboratory,4,University of California, Berkeley5
Yihuang Xiong1,Natalya Sheremetyeva1,Wei Chen2,Weiru Chen1,Diana Dahliah2,Céline Bourgois2,Sinead Griffin3,4,Alp Sipahigil5,4,3,Geoffroy Hautier1
Dartmouth College1,Universite Catholique de Louvain2,Lawrence Berkeley National Laboratory3,Lawrence Berkeley National Laboratory,4,University of California, Berkeley5
Color centers, or quantum defects, in semiconductors are emerging as promising candidates for the spin-photon interface—an indispensable building block that combines the memory capability of a spin with the information transfer capabilities of photons. This interface holds significant potential for the realization of various quantum technologies. However, the challenge remains in building a database documenting tens of thousands of quantum defects due to the complexities of accurately describing their electronic structures in an efficient manner. In this talk, we will present our work on a high-throughput search for promising spin-photon interfaces using first-principles computations. We will discuss our approach for addressing the prescribed issue by employing single-shot hybrid computations, as well as our strategies for designing defects that emit at technologically relevant wavelengths. Our results suggest promising candidates and shed light on strategies for designing novel spin-photon interfaces.