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arXiv:2001.10607 · Physical Review A

Many-particle entanglement in multiple quantum nuclear-magnetic-resonance spectroscopy

Serge I. Doronin, Edward B. Fel’dman, I. D. Lazarev

Published Aug 22, 2019• 19 citations
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Abstract

We use multiple quantum (MQ) nuclear magnetic resonance dynamics of a gas of spin-carrying molecules in nanocavities at high and low temperatures for an investigation of many-particle entanglement. A distribution of MQ NMR intensities is obtained at high and low temperatures in a system of 201 spins $\frac{1}{2}$. The second moment of the distribution, which provides a lower bound on the quantum Fisher information, sheds light on the many-particle entanglement in the system. The dependence of the many-particle entanglement on the temperature is investigated. Almost all spins are entangled at low temperatures.

DOI
10.1103/physreva.100.022330

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We use multiple quantum (MQ) nuclear magnetic resonance dynamics of a gas of spin-carrying molecules in nanocavities at high and low temperatures for an investigation of many-particle entanglement. A distribution of MQ NMR intensities is obtained at high and low temperatures in a system of 201 spins 12\frac{1}{2}21​. The second moment of the distribution, which provides a lower bound on the quantum Fisher information, sheds light on the many-particle entanglement in the system. The dependence of the many-particle entanglement on the temperature is investigated. Almost all spins are entangled at low temperatures.
Quantum correlations in multiple quantum (MQ) NMR experiments are investigated in two-spin systems (dimers). In the initial moment of time one spin is in a pure quantum polarized state and the other spin is in the thermodynamic equilibrium state defined by the temperature of the sample. MQ NMR dynamics of dimers is investigated. It is shown that MQ NMR coherences of only the zeroth and second orders emerge in such a system. The intensities of those coherences are calculated. Entangled states appear in the course of the system evolution in the MQ NMR experiment. The quantum discord is obtained in the high temperature approximation.
We consider the multiple quantum (MQ) NMR dynamics of a gas of spin carrying molecules in nanocavities. MQ NMR dynamics is determined by the residual dipole-dipole interactions, which are not averaged completely due to the molecular diffusion in nanopores. Since the averaged nonsecular Hamiltonian describing MQ NMR dynamics depends on only one coupling constant, this Hamiltonian commutes with the square of the total spin angular momentum Î2. We use the basis of common eigenstates of Î2 and the projection of I on the external magnetic field for investigation of MQ NMR dynamics. This approach allows us to study MQ NMR dynamics in systems consisting of several hundreds of spins. The analytical approximation of the stationary profile of MQ coherences is obtained. The analytical expressions for MQ NMR coherence intensities of the five-spin system in a nanopore are found. Numerical investigations allow us to find the dependencies of intensities of MQ coherences on their orders (the profiles of MQ coherences) in systems consisting of 600 spins and even more. It is shown that the stationary MQ coherence profile in the considered system is an exponential one.
We investigate analytically and numerically the multiple-quantum (MQ) NMR dynamics in systems of nuclear spins 1∕21∕21∕2 coupled by the dipole-dipole interactions in the case of the dipolar ordered initial state. We suggest two different methods of MQ NMR. One of them is based on the measurement of the dipolar temperature in the quasiequilibrium state which is established after the time of order ${\ensuremath{\omega}}_{\mathit{loc}}^{\ensuremath{-}1}$ (${\ensuremath{\omega}}_{\mathit{loc}}$ is the dipolar local field) after the MQ NMR experiment. The other method uses an additional resonance ${(\ensuremath{\pi}∕4)}_{y}$ pulse after the preparation period of the standard MQ NMR experiment in solids. Many-spin clusters and correlations are created faster in such experiments than in the usual MQ NMR experiments and can be used for the investigation of many-spin dynamics of nuclear spins in solids.
We investigate the evolution of entanglement in multiple-quantum (MQ) NMR experiments in crystals with pairs of close nuclear 1/2-spins. The initial thermodynamic equilibrium state of the system in a strong external magnetic field evolves under the nonsecular part of the dipolar Hamiltonian. As a result, MQ coherences of the zeroth and plus/minus second orders appear. A simple condition for the emergence of entanglement is obtained. We show that the measure of the spin-pair entanglement—concurrence—coincides qualitatively with the intensity of MQ coherences of the plus/minus second order and, hence, the entanglement can be studied with MQ NMR methods. We introduce an entanglement witness using MQ NMR coherences of the plus/minus second order.
Multiple quantum (MQ) nuclear magnetic resonance (NMR) spin dynamics are investigated analytically in infinite one-dimensional (1D) chains of spins 1/2. The representation of spin 1/2 operators with fermion field operators allows to calculate exactly the spin density operator, and hence NMR observables, under a variety of different conditions for 1D spin systems. The exact expressions are valid for all times and for a macroscopic number of coupled spins. The calculations for a 1D spin system initially at thermal equilibrium, and evolving under a 2-quantum/2-spin average dipolar Hamiltonian, in the presence of nearest-neighbor dipolar interactions yield MQ NMR spectra with 0- and 2-quantum coherences only. For a nonequilibrium initial condition with transverse magnetization, the analogous spin dynamics calculations produce MQ NMR spectra with all possible coherences of odd orders. Calculations at the level of perturbation theory, which include next-nearest-neighbor dipolar interactions, generate MQ spectra with higher even order coherences for equilibrium initial condition and evolution under a 2-quantum/2-spin propagator. Consideration of multiple spin correlations, 0-quantum coherences, and rf pulse imperfections are also presented. The relevance and implications of these theoretical results for comparison with the recent MQ NMR experiments of Yesinowski et al. on materials with quasi-one-dimensional distributions of spins, and for MQ NMR of solids in general are discussed.