What question did this study set out to answer?

The aim is to explore the structural, electronic, magnetic, and elastic characteristics of FeZrTiX Heusler alloys under pressure.

April 25, 2026Physical Chemistry Chemical Physics

First-Principles and Machine Learning Investigation of Pressure-Induced Elastic, Electronic, and Magnetic Behavior in FeZrTiX (X = Al, Si) Heusler Alloys

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The aim is to explore the structural, electronic, magnetic, and elastic characteristics of FeZrTiX Heusler alloys under pressure.
First-principles calculations based on density functional theory (DFT) are employed.
Analysis includes evaluation of quaternary alloys FeZrTiAl and FeZrTiSi under varying pressure conditions.
Distinct pressure-induced variations were observed in the elastic and magnetic properties of both alloys.
The electronic properties reveal significant changes linked to the applied pressure, indicating potential for tuning material behavior in applications.

Implication

Randomized trial investigates elastic, electronic, and magnetic properties in FeZrTiX alloys, suggesting novel material applications.

Abstract

In this study, we investigate the structural, electronic, magnetic, and elastic properties of quaternary Heusler alloys FeZrTiX (X = Al, Si) using first-principles calculations based on density functional theory (DFT)....

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Cite This Study

Gawande et al. (2026) studied this question.

synapsesocial.com/papers/69ec5aa788ba6daa22dac374 https://doi.org/10.1039/d6cp00025h

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Implication

Randomized trial investigates elastic, electronic, and magnetic properties in FeZrTiX alloys, suggesting novel material applications.

First-Principles and Machine Learning Investigation of Pressure-Induced Elastic, Electronic, and Magnetic Behavior in FeZrTiX (X = Al, Si) Heusler Alloys

Key Points

Implication

Abstract

Discussion

Cite This Study

First-Principles and Machine Learning Investigation of Pressure-Induced Elastic, Electronic, and Magnetic Behavior in FeZrTiX (X = Al, Si) Heusler Alloys

Key Points

Implication

Abstract

Discussion

Cite This Study

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