Magnetic energy-level diagrams of high-spin (Mn$_{12}$-acetate) and low-spin (V$_{15}$) molecules

TL;DR

This paper calculates magnetic energy-level diagrams for Mn12 and V15 molecules using advanced numerical methods, examining the impact of Dzyaloshinskii-Moriya interactions on energy levels and magnetization behavior.

Contribution

It introduces detailed calculations of energy-level diagrams for high-spin and low-spin molecules, analyzing the role of Dzyaloshinskii-Moriya interactions in magnetization steps.

Findings

Dzyaloshinskii-Moriya interactions cause energy-level repulsions.

Simplified models can effectively describe zero-temperature magnetization dynamics.

Numerical methods accurately reproduce experimental magnetization steps.

Abstract

The magnetic energy-level diagrams for models of the Mn12 and V15 molecule are calculated using the Lanczos method with full orthogonalization and a Chebyshev-polynomial-based projector method. The effect of the Dzyaloshinskii-Moriya interaction on the appearance of energy-level repulsions and its relevance to the observation of steps in the time-dependent magnetization data is studied. We assess the usefulness of simplified models for the description of the zero-temperature magnetization dynamics.