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- W4384263488 abstract "Using ab initio density functional theory with static mean-field correlations, we calculate the Heisenberg and Dzyaloshinskii-Moriya interactions (DMI) for an atomistic spin Hamiltonian for the lacunar spinel, GaV$_4$S$_8$. The parameters describing these interactions are used in atomistic spin dynamics and micromagnetic simulations. The magnetic properties of the lacunar spinel GaV$_4$S$_8$, a material well-known from experiment to host magnetic skyrmions of N'eel character, are simulated with these ab initio calculated parameters. The Dzyaloshinskii-Moriya contribution to the micromagnetic energy is a sum of two Lifshitz invariants, supporting the formation of N'eel skyrmions and its symmetry agrees with what is usually expected for $C_{3nu}$-symmetric systems. The are several conclusions one may draw from this work. One concerns the quantum nature of the magnetism, where we show that the precise magnetic state of the V$_4$ cluster is crucial for understanding quantitatively the magnetic phase diagram. In particular we demonstrate that a distributed-moment state of each V$_4$ cluster explains well a variety of properties of GaV$_4$S$_8$, such as the band gap, observed Curie temperature and especially the stability of N'eel skyrmions in the experimentally relevant temperature and magnetic-field range. In addition, we find that electronic correlations change visibly the calculated value of the DMI." @default.
- W4384263488 created "2023-07-14" @default.
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- W4384263488 date "2023-07-11" @default.
- W4384263488 modified "2023-10-17" @default.
- W4384263488 title "Dzyaloshinskii-Moriya interactions, N'eel skyrmions and V$_4$ magnetic clusters in multiferroic lacunar spinel GaV$_4$S$_8$" @default.
- W4384263488 doi "https://doi.org/10.48550/arxiv.2307.05733" @default.
- W4384263488 hasPublicationYear "2023" @default.
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