TY  - JOUR
PB  - SciPost Foundation
DO  - 10.21468/SciPostPhys.20.2.031
TI  - Simulating the interplay of dipolar and quadrupolar interactions in NMR by spin dynamic mean-field theory
PY  - 2026/02/04
UR  - https://scipost.org/SciPostPhys.20.2.031
JF  - SciPost Physics
JA  - SciPost Phys.
VL  - 20
IS  - 2
SP  - 031
A1  - Gräßer, Timo
AU  - Uhrig, Götz S.
AB  - The simulation of nuclear magnetic resonance (NMR) experiments is a notoriously difficult task, if many spins participate in the dynamics. The recently established dynamic mean-field theory for high-temperature spin systems (spinDMFT) represents an efficient yet accurate method to deal with this scenario. SpinDMFT reduces a complex lattice system to a time-dependent single-site problem, which can be solved numerically with small computational effort. Since the approach retains local quantum degrees of freedom, a quadrupolar term can be exactly incorporated. This allows us to study the interplay of dipolar and quadrupolar interactions for any parameter range, i.e., without the need for a perturbative treatment. We obtain a remarkable agreement with experimental data for an aluminium nitride monocrystal, which strongly suggests the use of spinDMFT as a prediction tool. Furthermore, we draw a comparison between a quantum-mechanical and a classical version of spinDMFT showing that local quantum effects are of great importance for the studied type of system.
ER  -

@Article{10.21468/SciPostPhys.20.2.031,
	title={{Simulating the interplay of dipolar and quadrupolar interactions in NMR by spin dynamic mean-field theory}},
	author={Timo Gräßer and Götz S. Uhrig},
	journal={SciPost Phys.},
	volume={20},
	pages={031},
	year={2026},
	publisher={SciPost},
	doi={10.21468/SciPostPhys.20.2.031},
	url={https://scipost.org/10.21468/SciPostPhys.20.2.031},
}