Path integral spin dynamics for quantum paramagnets

Thomas Nussle (1) , Pascal Thibaudeau (2) , Stam Nicolis (3)

1 School of Physics and Astronomy [Leeds]
2 CEA Le Ripault - CEA Le Ripault
3 IDP - Institut Denis Poisson

A path integral method, combined with atomistic spin dynamics simulations, has been developed to calculate thermal quantum expectation values using a classical approach. In this study, we show how to treat Hamiltonians with non-linear terms, that are relevant for describing uniaxial anisotropies and mechanical constraints. These interactions can be expressed solely through quadratic terms of the spin operator along one axis, that can be identified with the quantisation axis.

Mots clés: spin coherent states; atomistic spin dynamics

Domaines: Physique Quantique [quant-ph]; Science des matériaux [cond-mat.mtrl-sci]; Physique Numérique [physics.comp-ph]

Thomas Nussle, Pascal Thibaudeau, Stam Nicolis. Path integral spin dynamics for quantum paramagnets. 2024. ⟨hal-04565444⟩