Magnetism of competing high-spin/low-spin states in Ba$_2$NiO$_2$(AgSe)$_2$ and related two-orbital two-electron systems

TL;DR

This paper investigates the magnetic and thermodynamic behavior of a two-orbital, two-electron model with competing high-spin and low-spin states on a square lattice, relevant to nickelate materials, highlighting differences from previous models.

Contribution

It introduces a variant of the Kondo-necklace model with distinct phase properties, providing new insights into spin state competition in nickelates.

Findings

High-spin and low-spin states are energetically close in the model.

Distinct phase transitions and ground-state phases compared to previous models.

Differences in properties and transitions are experimentally distinguishable.

Abstract

We discuss the thermodynamic and magnetic properties of a competing high-spin/low-spin two-orbital two-electron model on a square-lattice possibly relevant to the nickelates such as Ba$_2$NiO$_2$(AgSe)$_2$ (BNOAS). We focus on parameter regimes where a high-spin ($S=1$) and a low-spin ($S=0$) state are energetically close to each other and discuss various exchange processes in such a system. The model we study is a variant of, but different from the Kondo-necklace model proposed for the system by Jin et al (H. S. Jin, W. E. Pickett and K. W. Lee, Phys. Rev. Research 2, 033197 (2020)). Although there are similarities between the two models in terms of the ground-state phases and their symmetries, the detailed properties of the different phases and the phase transitions are entirely different and should be easy to distinguish from an experimental point of view.