Strain-Induced Half-Metallicity and Giant Wiedemann-Franz Violation in Monolayer NiI₂

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This is a First-Principles study (also classified as: Boltzmann Transport).

J. W. González; Luis Rosales

doi:10.1039/d5cp02307f

January 1, 2025Physical Chemistry Chemical Physics

Strain-Induced Half-Metallicity and Giant Wiedemann-Franz Violation in Monolayer NiI₂

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Key Points

Strain significantly enhances half-metallicity and thermoelectric performance in monolayer NiI₂, enabling energy harvesting.
Calculations based on first-principles and transport theory indicate a substantial Wiedemann-Franz violation, providing new insights.
Boltzmann transport theory reveals the tunability of spin-dependent thermoelectricity through mechanical strain, highlighting potential applications.
This work may enable the development of innovative thermal logic circuits and advanced energy devices using monolayer materials.

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Implication

First-principles modeling shows mechanical strain controls thermoelectricity in monolayer NiI₂, suggesting new energy applications.

Abstract

Reversible control of spin-dependent thermoelectricity via mechanical strain provides a platform for next-generation energy harvesting and thermal logic circuits. Using first-principles and Boltzmann transport calculations, we demonstrate that monolayer NiI₂...

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González et al. (2025) studied this question.

synapsesocial.com/papers/68c182589b7b07f3a060f011 https://doi.org/10.1039/d5cp02307f

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Strain-Induced Half-Metallicity and Giant Wiedemann-Franz Violation in Monolayer NiI₂

Key Points

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Implication

Abstract

Discussion

Cite This Study

Strain-Induced Half-Metallicity and Giant Wiedemann-Franz Violation in Monolayer NiI₂

Key Points

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Implication

Abstract

Discussion

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