Predicting the Spin Seebeck Voltage in Spin-polarized Materials: A Quantum Mechanical Transport Model Approach

TL;DR

This paper introduces a quantum mechanical transport model that predicts the spin Seebeck voltage in spin-polarized materials, aiding the discovery of new spin-based thermoelectric materials through computational methods.

Contribution

The study develops and validates a first-principles-based transport model for predicting spin Seebeck voltages, integrating density functional theory with a microscopic inverse spin Hall effect approach.

Findings

Model accurately predicts spin Seebeck voltage in La:YIG.

Validated predictions with experimental data.

Enables high-throughput screening of spin thermoelectric materials.

Abstract

The spin Seebeck effect has recently been demonstrated as a viable method of direct energy conversion that has potential to outperform energy conversion from the conventional Seebeck effect. In this study, a computational transport model is developed and validated that predicts the spin Seebeck voltage in spin-polarized materials using material parameter obtain from first principle ground state density functional calculations. The transport model developed is based on a 1D effective mass description coupled with a microscopic inverse spin Hall relationship. The model can predict both the spin current and voltage generated in a non-magnetic material placed on top of a ferromagnetic material in a transverse spin Seebeck configuration. The model is validated and verified with available experimental data of La:YIG. Future applications of this model include the high-throughput exploration of new spin-based thermoelectric materials.