Electronic and magnetic states in doped LaCoO_3

TL;DR

This study uses exact diagonalization to explore how doping affects the electronic and magnetic states in LaCoO_3, revealing coexistence of high and intermediate spin states due to strong p-d mixing, aligning with experimental observations.

Contribution

It provides a detailed numerical analysis of doped LaCoO_3, highlighting the coexistence of multiple spin states and explaining experimental magnetic behaviors.

Findings

High and intermediate spin states coexist in doped clusters.

Strong p-d mixing influences magnetic states.

Results align with experimental data on doped cobaltites.

Abstract

The electronic and magnetic states in doped perovskite cobaltites, (La, Sr)CoO_3, are studied in the numerically exact diagonalization method on Co_2O_{11} clusters. For realistic parameter values, it is shown that a high spin state and an intermediate spin state coexist in one-hole doped clusters due to strong p-d mixing. The magnetic states in the doped cobaltites obtained in the calculation explain various experimental results.