# Spin-polaron formation and magnetic state diagram in La doped $CaMnO_3$

## TL;DR

This study uses density functional theory with Hubbard-U correction to explore spin-polaron formation and magnetic states in La-doped CaMnO3, revealing how lattice and magnetic interactions influence polaron stability across different phases.

## Contribution

It demonstrates the stabilization mechanisms of spin-polarons in La-doped CaMnO3 and provides a theoretical magnetic state diagram consistent with experimental findings.

## Key findings

- Spin-polarons form in G-type antiferromagnetic phase.
- Lattice effects primarily stabilize spin-polarons at higher La concentrations.
- Spin-polarons are unfavorable in C- and A-type antiferromagnetic phases.

## Abstract

$La_xCa_{1-x}MnO_3$ (LCMO) has been studied in the framework of density functional theory (DFT) using Hubbard-U correction. We show that the formation of spin-polarons of different configurations is possible in the G-type antiferromagentic phase. We also show that the spin-polaron (SP) solutions are stabilized due to an interplay of magnetic and lattice effects at lower La concentrations and mostly due to the lattice contribution at larger concentrations. Our results indicate that the development of SPs is unfavorable in the C- and A-type antiferromagnetic phases. The theoretically obtained magnetic state diagram is in good agreement with previously reported experimental results