Bayesian approach to effective model of NiGa2S4 triangular lattice with Boltzmann factor

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

3 被引用数 (Scopus)

抄録

We propose a method for inducting the Boltzmann factor to extract effective classical spin Hamiltonians from meanfield-type electronic structural calculations by means of the Bayesian inference. This method enables us to compare electronic structural calculations with experiments according to the classical model at a finite temperature. Application of this method to the unrestricted Hartree-Fock calculations for NiGa2S4 led to the estimation that the superexchange interaction between the nearest neighbor sites is ferromagnetic at low temperature, which is consistent with magnetic experiment results. This supports the theory that competition between the antiferromagnetic third neighbor interaction and ferromagnetic nearest neighbor interaction may lead to the quantum spin liquid in NiGa2S4.

本文言語English
論文番号124003
ジャーナルjournal of the physical society of japan
85
12
DOI
出版ステータスPublished - 2016 12 15

ASJC Scopus subject areas

  • 物理学および天文学(全般)

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