Derivation of symmetry-based pseudo spin models for modulated materials

TL;DR

This paper introduces a systematic method to derive symmetry-based pseudo spin Hamiltonians, linking atomistic details with simplified models for modulated materials, enabling broader analytical and numerical analysis.

Contribution

It provides a unified framework for deriving pseudo spin models from atomistic structures in modulated materials, enhancing their theoretical and computational treatment.

Findings

Provides a general derivation method for pseudo spin Hamiltonians.

Bridges atomistic models with pseudo spin descriptions.

Enables application of statistical mechanics techniques to modulated crystals.

Abstract

A general concept for the derivation of symmetry-based pseudo spin Hamiltonians is described. It systematically bridges the gap between the atomistic basis and various pseudo spin models presented in literature. It thus allows the application of the multitude of analytical and numerical procedures derived for the statistical mechanics treatment of the latter to the description of structurally modulated crystals and furnishes a general frame for reviewing these models from a common point of view.