Phase Diagram of Half Doped Manganites

TL;DR

This paper constructs a detailed phase diagram of half-doped manganites using a realistic electronic model and mean field theory, revealing various electronic and magnetic phases and their temperature-dependent transitions.

Contribution

It provides a comprehensive phase diagram of half-doped manganites incorporating electron-phonon interactions and temperature effects, highlighting the nature of high-temperature phases.

Findings

Multiple electronic phases at zero temperature, including FM, CO, OO, and CE-CO-OO.

Temperature-induced transitions depend on electron-phonon and exchange couplings.

High-temperature phases show varying degrees of charge localization and lattice distortion.

Abstract

An analysis of the properties of half-doped manganites is presented. We build up the phase diagram of the system combining a realistic calculation of the electronic properties and a mean field treatment of the temperature effects. The electronic structure of the manganites are described with a double exchange model with cooperative Jahn-Teller phonons and antiferromagnetic coupling between the $Mn$ core spins. At zero temperature a variety of electronic phases as ferromagnetic (FM) charge ordered (CO) orbital ordered (OO), CE-CO-OO and FM metallic, are obtained. By raising the temperature the CE-CO-OO phase becomes paramagnetic (PM), but depending on the electron-phonon coupling and the exchange coupling the transition can be direct or trough intermediate states: a FM disorder metallic, a PM-CO-OO or a FM-CO-OO. We also discus the nature of the high temperature PM phase in the regime of finite electron phonon coupling. In this regime half of the oxygen octahedra surrounding the $Mn$ ions are distorted. In the weak coupling regime the octahedra are slightly deformed and only trap a small amount of electronic charge, rendering the system metallic consequentially. However in the strong coupling regime the octahedra are strongly distorted, the charge is fully localized in polarons and the system is insulator.