Covalency, correlations, and interlayer interactions governing the magnetic and electronic structure of Mn3Si2Te6

Chiara Bigi, Lei Qiao, Chao Liu, Paolo Barone, Monica Ciomaga Hatnean, Gesa-R Siemann, Barat Achinuq, Daniel Alexander Mayoh, Giovanni Vinai, Vincent Polewczyk, Deepak Dagur, Federico Mazzola, Peter Bencok, Thorsten Hesjedal, Gerrit van der Laan, Wei Ren, Geetha Balakrishnan, Silvia Picozzi*, Phil D. C. King*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)
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Abstract

Mn3Si2Te6 is a rare example of a layered ferrimagnet. It has recently been shown to host a colossal angular magnetoresistance as the spin orientation is rotated from the in- to out-of-plane direction, proposed to be underpinned by a topological nodal-line degeneracy in its electronic structure. Nonetheless, the origins of its ferrimagnetic structure remain controversial, while its experimental electronic structure, and the role of correlations in shaping this, are little explored to date. Here, we combine x-ray and photoemission-based spectroscopies with first-principles calculations, to probe the elemental-selective electronic structure and magnetic order in Mn3Si2Te6. Through these, we identify a marked Mn-Te hybridization, which weakens the electronic correlations and enhances the magnetic anisotropy. We demonstrate how this strengthens the magnetic frustration in Mn3Si2Te6, which is key to stabilizing its ferrimagnetic order, and find a crucial role of both exchange interactions extending beyond nearest-neighbours and anti-symmetric exchange in dictating its ordering temperature. Together, our results demonstrate a powerful methodology of using experimental electronic structure probes to constrain the parameter space for first-principles calculations of magnetic materials, and through this approach, reveal a pivotal role played by covalency in stabilizing the ferrimagnetic order in Mn3Si2Te6.
Original languageEnglish
Article number054419
Number of pages10
JournalPhysical Review. B, Condensed matter and materials physics
Volume108
Issue number5
DOIs
Publication statusPublished - 11 Aug 2023

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