Abstract
Calculating dynamical spin correlations is essential for matching model magnetic exchange Hamiltonians to momentum-resolved spectroscopic measurements. A major numerical bottleneck is the diagonalization of the dynamical matrix, especially in systems with large magnetic unit cells, such as those with incommensurate magnetic structures or quenched disorder. In this paper, we demonstrate an efficient scheme based on the kernel polynomial method for calculating dynamical correlations of relevance to inelastic neutron scattering experiments. This method reduces the scaling of numerical cost from cubic to linear in the magnetic unit cell size.
| Original language | English |
|---|---|
| Article number | 145 |
| Journal | SciPost Physics |
| Volume | 17 |
| Issue number | 5 |
| DOIs | |
| State | Published - Nov 2024 |
Funding
Funding information H. L. was supported by a Research Fellowship from the Royal Commission for the Exhibition of 1851. K. B. acknowledges support from the Department of Energy under Grant No. DE-SC-0022311, with a supplement provided by the Neutron Scattering program. The work at Georgia Tech (S. Quinn, C. D. Batista, M. Mourigal) was supported by U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division under award DE-SC-0018660.