A Manganise Ions Ground State in Mn_xSi_{1-x} : Negative - U Properties Centre?

TL;DR

This paper investigates the negative-U ground state properties of manganese ions in Mn_xSi_{1-x} systems, emphasizing defect models and Jahn-Teller distortions' influence on magnetic properties.

Contribution

It introduces a defect-based model including manganese ions and silicon vacancies, highlighting the role of Jahn-Teller distortions in magnetic property formation.

Findings

Identification of a defect center with negative-U properties.

Jahn-Teller distortions influence the transition between different charge configurations.

The model explains magnetic behavior in Mn_xSi_{1-x} systems.

Abstract

The properties of magnetic deluted and strong correlated systems of MnxSi1-x systems are discussed. In frame work of the model of the double defects including manganese ion and silicon vacancy are considered properties of these systems. The role of the Jahn -Teller distortions of different symmetry types in MnSi system magnetic-properties formation is discussed. It has been established that defect {Mns+1 - Vsio} is the center with negative-U properties and Jahn-Teller's full symmetric vibration mode initiates change of a crystal-field value from intermediate (a configuration - {Mns+1 - Vsio}) to strong (a configuration -{Mns-1 - Vsi+2}).