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DOE OSTI · 2566427

Kernel polynomial method for linear spin wave theory

Lane, Harry·Zhang, Hao·Dahlbom, David·Quinn, Sam·Somma, Rolando·Mourigal, Martin·Batista, Christian D.·Barros, Kipton Marcos
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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.

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97 MATHEMATICS AND COMPUTING

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Lane, Harry, Zhang, Hao, Dahlbom, David, Quinn, Sam, Somma, Rolando, Mourigal, Martin, Batista, Christian D., Barros, Kipton Marcos. 2024-11-26. Kernel polynomial method for linear spin wave theory. https://doi.org/10.21468/scipostphys.17.5.145

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