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Issue 44, 2020

First-principles studies of strongly correlated states in defect spin qubits in diamond

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Abstract

Using a recently developed quantum embedding theory, we present first-principles calculations of strongly correlated states of spin defects in diamond. Using this theory, effective Hamiltonians are constructed, which can be solved by classical and quantum computers; the latter promise a much more favorable scaling as a function of system size than the former. In particular, we report a study on the neutral group-IV vacancy complexes in diamond, and we discuss their strongly correlated spin-singlet and spin-triplet excited states. Our results provide valuable predictions for experiments aimed at optical manipulation of these defects for quantum information technology applications.

Graphical abstract: First-principles studies of strongly correlated states in defect spin qubits in diamond

Supplementary files

Article information


Submitted
30 Aug 2020
Accepted
21 Sep 2020
First published
24 Sep 2020

Phys. Chem. Chem. Phys., 2020,22, 25522-25527
Article type
Paper

First-principles studies of strongly correlated states in defect spin qubits in diamond

H. Ma, N. Sheng, M. Govoni and G. Galli, Phys. Chem. Chem. Phys., 2020, 22, 25522 DOI: 10.1039/D0CP04585C

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