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Pressure evolution of electronic structure and magnetism in the layered van der Waals ferromagnet CrGeTe3

  • Layered van der Waals ferromagnets, which preserve their magnetic properties down to exfoliated monolayers, are fueling an abundance of fundamental research and nanoscale device demonstration. CrGeTe3 is a prime example of this class of materials. Its temperature-pressure phase diagram features an insulator-to-metal transition and a significant increase in ferromagnetic Curie-Weiss temperatures upon entering the metallic state. We use density functional theory to understand the magnetic exchangeLayered van der Waals ferromagnets, which preserve their magnetic properties down to exfoliated monolayers, are fueling an abundance of fundamental research and nanoscale device demonstration. CrGeTe3 is a prime example of this class of materials. Its temperature-pressure phase diagram features an insulator-to-metal transition and a significant increase in ferromagnetic Curie-Weiss temperatures upon entering the metallic state. We use density functional theory to understand the magnetic exchange interactions in CrGeTe3 at ambient and elevated pressures. We calculate Heisenberg exchange couplings, which provide the correct ferromagnetic ground state and explain the experimentally observed pressure dependence of magnetism in CrGeTe3. Furthermore, we combine density functional theory with dynamical mean-field theory to investigate the effects of electronic correlations and the nature of the high-pressure metallic state in CrGeTe3.show moreshow less

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Metadaten
Author:Han-Xiang Xu, Makoto Shimizu, Daniel Guterding, Junya Otsuki, Harald O. Jeschke
DOI:https://doi.org/https://doi.org/10.1103/PhysRevB.108.125142
Parent Title (English):Physical Review B
Publisher:American Physical Society
Document Type:Article
Language:English
Year of Publishing:2023
Date of Publication (online):2024/02/06
Publishing Institution:Technische Hochschule Brandenburg
Release Date:2024/02/07
Issue:Vol. 108
Page Number:15
Institutes:Fachbereich Wirtschaft
University Bibliography:Hochschulbibliografie
Licence (German):Creative Commons - CC BY - Namensnennung 4.0
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