Study of magnetic interactions in a spin liquid, Sr3NiPtO6 using density functional approach

Abstract

We investigate the magnetic interactions in Sr3NiPtO6, characterized to be a spin liquid using ab initio calculations. The results reveal a novel metal to insulator transition due to finite exchange interaction strength; the magnetic solutions (independent of magnetic ordering) are large band gap insulators, while the non-magnetic solution is metallic. The Ni moment is found to be large and the coupling among intra-chain Ni moments is antiferromagnetic unlike other compounds in this family. These results, thus, reveal the importance of intra-chain antiferromagnetic interaction in addition to geometrical frustration to derive spin liquid phase.

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Cited by in corpus (4)

• Investigating the electronic structure of MSi (M = Cr, Mn, Fe $\&$ Co) and calculating $\textit{$U_{eff}$}$ $\&$ $\text{J}$ by using cDFT
• Orbital ordering in the geometrically frustrated MgV${}_2$O${}_4$: \emph{Ab initio} electronic structure calculations
• Magnetic excitations of the Cu${}^{2+}$ quantum spin chain in Sr${}_3$CuPtO${}_6$
• Role of crystal field ground state in the classical spin-liquid behavior of a quasi-one dimensional spin-chain system Sr3NiPtO6