Pressure evolution of electronic structure and magnetism in the layered van der Waals ferromagnet CrGeTe${}_3$

Abstract

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. CrGeTe${}_3$ is a prime example for this class of materials. Its temperature-pressure phase diagram features an insulator-to-metal transition and a significant increase of ferromagnetic Curie-Weiss temperatures upon entering the metallic state. We use density functional theory to understand the magnetic exchange interactions in CrGeTe${}_3$ at ambient and elevated pressure. We calculate Heisenberg exchange couplings, which provide the correct ferromagnetic ground state and explain the experimentally observed pressure dependence of magnetism in CrGeTe${}_3$. 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 CrGeTe${}_3$.

arXiv comment15 pages, 12 figures

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Cited by in corpus (4)

• Efficient Soft-Chemical Synthesis of Large van-der-Waals Crystals of the Room-Temperature Ferromagnet 1T-CrTe2
• Pressure tuning of intrinsic and extrinsic sources to the anomalous Hall effect in CrGeTe${}_3$
• Near room-temperature ferromagnetism from double-exchange in the van der Waals material CrGeTe${}_3$: evidence from optical conductivity under pressure
• Origin of pressure-induced anomalies in the nodal-line ferrimagnet Mn${}_3$Si${}_2$Te${}_6$