Semiconducting Electronic Structure of the Ferromagnetic Spinel $\mathbf{Hg}{\mathbf{Cr}}_2{\mathbf{Se}}_4$ Revealed by Soft-X-Ray Angle-Resolved Photoemission Spectroscopy

Abstract

We study the electronic structure of the ferromagnetic spinel $\mathrm{Hg}{\mathrm{Cr}}_2{\mathrm{Se}}_4$ by soft-x-ray angle-resolved photoemission spectroscopy (SX-ARPES) and first-principles calculations. While a theoretical study has predicted that this material is a magnetic Weyl semimetal, SX-ARPES measurements give direct evidence for a semiconducting state in the ferromagnetic phase. Band calculations based on the density functional theory with hybrid functionals reproduce the experimentally determined band gap value, and the calculated band dispersion matches well with ARPES experiments. We conclude that the theoretical prediction of a Weyl semimetal state in $\mathrm{Hg}{\mathrm{Cr}}_2{\mathrm{Se}}_4$ underestimates the band gap, and this material is a ferromagnetic semiconductor.

6+13 pages, 4+13 figures

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• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Discovery (theoretical prediction and experimental observation) of a large-gap topological-insulator class with spin-polarized single-Dirac-cone on the surface
• Self-consistent hybrid functional for condensed systems
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Cited by in corpus (1)

• Matter with apparent and hidden spin physics