First-principles studies of strongly correlated states in defect spin qubits in diamond
He Ma, Nan Sheng, Marco Govoni, Giulia Galli
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.
Topics & Concepts
Excited stateQubitPhysicsScalingDiamondCondensed matter physicsSpin (aerodynamics)QuantumVacancy defectQuantum mechanicsFunction (biology)Quantum systemWave functionQuantum informationQuantum computerQuantum dotEmbeddingQuantum technologyExcitonScaling lawSpin statesQuantum stateStatistical physicsDiamond and Carbon-based Materials ResearchQuantum and electron transport phenomenaGraphene research and applications