Yihuang Xiong1,Diana Dahliah2,Céline Bourgois2,1,Sinead Griffin3,Alp Sipahigil4,Geoffroy Hautier1,2
Dartmouth College1,Université Catholique de Louvain2,Lawrence Berkeley National Laboratory3,University of California, Berkeley4
Yihuang Xiong1,Diana Dahliah2,Céline Bourgois2,1,Sinead Griffin3,Alp Sipahigil4,Geoffroy Hautier1,2
Dartmouth College1,Université Catholique de Louvain2,Lawrence Berkeley National Laboratory3,University of California, Berkeley4
Silicon is an attractive platform for implementing solid-state qubits due to the mature process technology and commercial compatibility. The color centers in silicon have seen a resurgence of interest in quantum information science, including the T-center and Se<sup>+</sup>. [1,2] Using first-principles methods, we performed a high-throughput search for charged defects in silicon for qubit applications. By evaluating the thermodynamic, electronic, and optical properties, we suggest possible candidates that are promising for quantum defects and shed light on their electronic structures and potential excitation mechanism compared to the other well-known systems (e.g., NV– center in diamond).<br/><br/>[1] Bergeron, L., Chartrand, C., Kurkjian, A. T. K., Morse, K. J., Riemann, H., Abrosimov, N. V, Becker, P., Pohl, H.-J., Thewalt, M. L. W. & Simmons, S., "Silicon-Integrated Telecommunications Photon-Spin Interface," <i>PRX Quantum</i> <b>1,</b> 20301 (2020). DOI: 10.1103/PRXQuantum.1.020301<br/>[2] Morse, K.J., Abraham, R.J., DeAbreu, A., Bowness, C., Richards, T.S., Riemann, H., Abrosimov, N.V., Becker, P., Pohl, H.J., Thewalt, M.L. & Simmons, S., "A photonic Platform for Donor Spin Qubits in Silicon," <i>Science advances</i>, <i>3</i>(7), p.e1700930 (2017). DOI: 10.1126/sciadv.1700930