Journal article
Two-electron states of a group-V donor in silicon from atomistic full configuration interactions
A Tankasala, J Salfi, J Bocquel, B Voisin, M Usman, G Klimeck, MY Simmons, LCL Hollenberg, S Rogge, R Rahman
Physical Review B | AMER PHYSICAL SOC | Published : 2018
Abstract
Two-electron states bound to donors in silicon are important for both two-qubit gates and spin readout. We present a full configuration interaction technique in the atomistic tight-binding basis to capture multielectron exchange and correlation effects taking into account the full band structure of silicon and the atomic-scale granularity of a nanoscale device. Excited s-like states of A1 symmetry are found to strongly influence the charging energy of a negative donor center. We apply the technique on subsurface dopants subjected to gate electric fields and show that bound triplet states appear in the spectrum as a result of decreased charging energy. The exchange energy, obtained for the tw..
View full abstractRelated Projects (2)
Grants
Awarded by Automotive Research Center
Funding Acknowledgements
This work is funded by the ARC Center of Excellence for Quantum Computation and Communication Technology CE1100001027 and in part by the U.S. Army Research Office (Grant No. W911NF-13-1-0024). M.Y.S. acknowledges an ARC Laureate Fellowship. Computational resources from NCN/Nanohub are acknowledged. This work is also part of the Accelerating Nano-scale Transistor Innovation with NEMO5 on Blue Waters PRAC allocation support by the National Science Foundation (Grant No. OCI-0832623). This work used over 60000 CPU hours on SDSC Comet at the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation Grant No. ECS150001 [39].