Spin-phonon relaxation from a universal ab initio density-matrix approach

Xu, Junqing; Habib, Adela; Kumar, Sushant; Wu, Feng; Sundararaman, Ravishankar; Ping, Yuan

doi:10.1038/s41467-020-16063-5

Cited by 37 publications

(71 citation statements)

References 68 publications

(106 reference statements)

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“…Despite the incredible usefulness of such a formalism for interpreting experiments, these approximations have the major drawback of making it impossible to use the theory as a real predictive tool. Only recently, fully-ab initio methods to predict spin-phonon relaxation in solid-state materials has been proposed [14][15][16][17][18][19]. At the heart of these methods there is a combination of Redfield theory of relaxation and electronic structure methods.…”

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confidence: 99%

Towards exact predictions of spin-phonon relaxation times: an ab initio implementation of open quantum systems theory

Lunghi

2021

Preprint

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Spin-phonon coupling is the main drive of spin relaxation and decoherence in solidstate semiconductors at finite temperature. Controlling this interaction is a central problem for many disciplines, ranging from magnetic resonance to quantum technologies. Spin relaxation theories have been developed for almost a century but often employ a phenomenological description of phonons and their coupling to spin, resulting in a non-predictive tool and hindering our detailed understanding of spin dynamics.Here we combine fourth-order time-local quantum master equations with advanced electronic structure methods and perform predictions of spin-phonon relaxation time for a series of solid-state coordination compounds based on both transition metals and lanthanide Kramers ions. The agreement between experiments and simulations demonstrates that an accurate, universal and fully ab initio implementation of spin relaxation theory is possible, thus paving the way to a systematic study of spin-phonon relaxation in solid-state materials.

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confidence: 99%

Towards exact predictions of spin-phonon relaxation times: an ab initio implementation of open quantum systems theory

Lunghi

2021

Preprint

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“…Finally we note that for the 2DMs investigated here, other decoherence channels (spin-orbit, spin-phonon interactions [56][57][58] ) exist, which may play a significant role at nonzero temperatures. Their contribution to decoherence needs to be carefully assessed in the future.…”

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confidence: 77%

Substrate-controlled dynamics of spin qubits in low dimensional van der Waals materials

Onizhuk

Galli

2021

Applied Physics Letters

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We report a theoretical study of the coherence dynamics of spin qubits in two-dimensional materials (2DMs) and van der Waals heterostructures, as a function of the host thickness and the composition of the surrounding environment. We focus on MoS2 and WS2, two promising systems for quantum technology applications, and we consider the decoherence arising from the interaction of the spin qubit with nuclear spins. We show that the Hahn-echo coherence time is determined by a complex interplay between the source of decoherence in the qubit host and in the environment, which in turn determines whether the noise evolution is in a classical or quantum mechanical regime. We suggest that the composition and thickness of van der Waals heterostructures encapsulating a qubit host can be engineered to maximize coherence times. Finally, we discuss how quantum sensors may be able to probe the dynamics of the nuclear bath in 2DMs.

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“…21,29,30 The external field dependence of the relaxation processes have received little attention thus far, but must be understood in detail for various relaxometry applications. Recent theoretical developments have enabled parameter-free calculations of the two major contributions to the longitudinal spin relaxation, namely the temperature dependent spin-lattice relaxation [31][32][33] and the magnetic field dependent dipolar spin relaxation induced by local environmental spins 15,34,35 .…”

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confidence: 99%

Low-field microwave-free sensors using dipolar spin relaxation of quartet spin states in silicon carbide

Bulancea-Lindvall¹,

Eiles²,

Són³

et al. 2022

Preprint

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Paramagnetic defects and nuclear spins are the major sources of magnetic field-dependent spin relaxation in point defect quantum bits. The detection of related optical signals has led to the development of advanced relaxometry applications with high spatial resolution. The nearly degenerate quartet ground state of the silicon vacancy qubit in silicon carbide (SiC) is of special interest in this respect, as it gives rise to relaxation rate extrema at vanishing magnetic field values and emits in the first near-infra-red transmission window of biological tissues, providing an opportunity for developing novel sensing applications for medicine and biology. However, the relaxation dynamics of the silicon vacancy center in SiC have not yet been fully explored. In this paper, we present results from a comprehensive theoretical investigation of the dipolar spin relaxation of the quartet spin states in various local spin environments. We discuss the underlying physics and quantify the magnetic field and spin bath dependent relaxation time T 1 . Using these findings we demonstrate that the silicon vacancy qubit in SiC can implement microwave-free low magnetic field quantum sensors of great potential.

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Spin-phonon relaxation from a universal ab initio density-matrix approach

Cited by 37 publications

References 68 publications

Towards exact predictions of spin-phonon relaxation times: an ab initio implementation of open quantum systems theory

Towards exact predictions of spin-phonon relaxation times: an ab initio implementation of open quantum systems theory

Substrate-controlled dynamics of spin qubits in low dimensional van der Waals materials

Low-field microwave-free sensors using dipolar spin relaxation of quartet spin states in silicon carbide

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