Covalency, correlations, and interlayer interactions governing the magnetic and electronic structure of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Mn</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mi>Si</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>Te</mml:mi><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math>
Chiara Bigi, Lei Qiao, Chao Liu, Paolo Barone, Monica Ciomaga Hatnean, Gesa-R. Siemann, Barat Achinuq, D. A. Mayoh, Giovanni Vinai, Vincent Polewczyk, Deepak Dagur, Federico Mazzola, Peter Bencok, T. Hesjedal, G. van der Laan, Wei Ren, G. Balakrishnan, Silvia Picozzi, P. D. C. King
Abstract
This work establishes the spectroscopic fingerprints of ferrimagnetic Mn${}_{3}$Si${}_{2}$Te${}_{6}$, providing a comprehensive understanding of the electronic states underpinning its magnetic interactions. The authors show the pivotal role played by covalency, which weakens the electronic correlations and influences the magnetic frustrations and anisotropic exchange, leading to the onset of the long-range ferrimagnetic order in this compound. The approach of combining spectroscopic experiments with state-of-the-art first-principles theory will have widespread applicability across the families of layered and quasilayered magnetic materials.