First-Principles Study of Pressure Effects on Physical, Chemical and Magnetic Properties of LaCrGe3

Q: What type of study is this?

This is a In Vitro Study study.

Himanshu Panwar; J. J. Pulikkotil

doi:10.1039/d5cp02241j

January 1, 2025Physical Chemistry Chemical Physics

First-Principles Study of Pressure Effects on Physical, Chemical and Magnetic Properties of LaCrGe3

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Key Points

The study reveals a magnetic transition due to pressure in LaCrGe3, showcasing novel interactions between structure and magnetism.
Density functional theory simulations demonstrate that external pressure can significantly alter the material's magnetic properties.
Observational analysis using first-principles calculations highlights the critical relationship between pressure and electronic configurations.
The findings suggest potential applications in tuning magnetic properties through material design for future technologies.

Implication

Density functional theory shows pressure affects magnetic transition in LaCrGe3, indicating complex interactions with electronic structure.

Abstract

We explore the pressure induced magnetic transition in LaCrGe3 using density functional theory, revealing a complex interplay between electronic structure and magnetism. While the first-principles calculations reproduce experimental structural parameters,...

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Cite This Study

Panwar et al. (2025) studied this question.

synapsesocial.com/papers/68a36dd20a429f7973330cb0 https://doi.org/10.1039/d5cp02241j

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First-Principles Study of Pressure Effects on Physical, Chemical and Magnetic Properties of LaCrGe3

Key Points

Implication

Abstract

Discussion

Cite This Study

First-Principles Study of Pressure Effects on Physical, Chemical and Magnetic Properties of LaCrGe3

Key Points

Implication

Abstract

Discussion

Cite This Study

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