Model selection of NiGa2S4 triangular lattice by bayesian inference

Hikaru Takenaka, Kenji Nagata, Takashi Mizokawa, Masato Okada*

*この研究の対応する著者

研究成果: Article査読

7 被引用数 (Scopus)

抄録

We propose a novel method for extracting effective classical spin Hamiltonians from mean-field type electronic structural calculations by means of the Bayesian inference. We apply the method for a NiS2 triangular lattice in NiGa2S4, where the ground state is a spin disordered state. Starting from unrestricted Hartree-Fock calculations for the spin configurations of 16 Ni sites, we estimated that not only the strongest superexchange interaction between the third nearest neighbor-sites but also those between the nearest and the second nearest neighbor-sites should be considered for the effective classical spin Hamiltonian for NiGa2S4.

本文言語English
論文番号124706
ジャーナルjournal of the physical society of japan
83
12
DOI
出版ステータスPublished - 2014 12 15
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学(全般)

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