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arXiv:2512.01100

Nonclassicality Analysis and Entanglement Witnessing in Spin-$1/2$ NMR Systems

Fatemeh Khashami

quant-phSubmitted Nov 30, 2025• Announced Dec 2, 2025• 0 citations
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Abstract

We investigate quantum features and non-classical nature of two-spin-$1/2$ NMR systems at thermal equilibrium under external magnetic fields. More specifically, using suitable quantifiers, we analyze quantum coherence, mixedness, and entanglement in NMR systems and examine their features within the system. We derive closed-form analytical expressions for the quantum elements and show how they depend on temperature and magnetic field strength. We demonstrate that at zero temperature, the system exhibits a quantum critical point, characterized by non-analytic behavior in the measures of coherence, and a sharp peak in mixedness. Moreover, we analyze the entanglement of the system using a suitable entanglement witness. This provides an experimentally friendly setting for testing entanglement in NMR systems. In other words, the witness links the entanglement in the system to quantum observables, making it directly provable in NMR experiments. We establish a connection between quantum information quantifiers and experimentally accessible NMR spectra of the system, enabling the quantification of entanglement, coherence, and mixedness through NMR signal processing.

Comments
12 pages, 8 figures

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Nonclassicality Analysis and Entanglement Witnessing in Spin-1/21/21/2 NMR Systems
We investigate quantum features and non-classical nature of two-spin-1/21/21/2 NMR systems at thermal equilibrium under external magnetic fields. More specifically, using suitable quantifiers, we analyze quantum coherence, mixedness, and entanglement in NMR systems and examine their features within the system. We derive closed-form analytical expressions for the quantum elements and show how they depend on temperature and magnetic field strength. We demonstrate that at zero temperature, the system exhibits a quantum critical point, characterized by non-analytic behavior in the measures of coherence, and a sharp peak in mixedness. Moreover, we analyze the entanglement of the system using a suitable entanglement witness. This provides an experimentally friendly setting for testing entanglement in NMR systems. In other words, the witness links the entanglement in the system to quantum observables, making it directly provable in NMR experiments. We establish a connection between quantum information quantifiers and experimentally accessible NMR spectra of the system, enabling the quantification of entanglement, coherence, and mixedness through NMR signal processing.
We investigate quantum-state properties of thermal two-spin-1/2 NMR systems under external magnetic fields, with the goal of translating density-matrix-based quantum quantities into experimentally accessible NMR observables. In particular, we consider mixedness and witness-based entanglement as complementary probes of the thermal spin-state structure. Mixedness quantifies the departure of the NMR ensemble from a pure-state dominated regime and identifies field-dependent population redistribution, while the entanglement witness provides a practical test of nonclassical spin-spin entanglement without requiring full density-matrix reconstruction. Our framework links quantum-information quantities to NMR spectra, polarization observables, and spin-spin correlations, enabling the characterization of mixedness and witness-based entanglement through NMR signal analysis. We further examine the effect of noise and imperfections on the measurements. We also show how repeating the measurement improves the stability of the extracted signatures. These results provide insights for quantum-enhanced NMR, low-temperature spectroscopy, and emerging quantum sensing technologies where experimentally accessible signatures of mixedness and entanglement are needed.
We investigate quantum entanglement in two-spin-1/2 NMR systems at thermal equilibrium under external magnetic fields. We derive closed-form analytical expressions for the entanglement of the system and show how the entanglement depends on temperature and magnetic field strength, resulting in a threshold temperature beyond which entanglement vanishes. We demonstrate that at zero temperature, the system exhibits a quantum critical point, characterized by non-analytic behavior in the measure of entanglement. We further develop analytical criterion for level crossing, which serves as a condition for identifying quantum critical points in both homonuclear and heteronuclear systems, and apply it to multiple settings to analyze their quantum critical points. We establish a direct link between the quantum entanglement quantifier and experimentally accessible NMR observables, enabling entanglement to be quantified through NMR signal processing. This provides a practical framework for characterizing quantum correlations using standard NMR experiments. These findings provide insights into the thermal control of quantum features, with implications for quantum-enhanced NMR, low-temperature spectroscopy, and emerging quantum technologies.
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.
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A bipartite quantum system in a mixed state can exhibit nonclassical correlations which can go beyond quantum entanglement. While quantum discord is the standard measure of quantifying such general quantum correlations, the nonclassicality can be determined by simpler means via the measurement of witness operators. We experimentally construct a positive map to witness nonclassicality of two qubits in an NMR system. The map can be decomposed in terms of measurable spin magnetizations so that a single run of an experiment on an ensemble of spins suffices to detect the nonclassicality in the state, if present. We let the state evolve in time and use the map to detect nonclassicality as a function of time. To evaluate the efficacy of the witness operator as a means to detect nonclassicality, we measure quantum discord by performing full quantum-state tomography at each time instant and obtain a fairly good match between the two methods.