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Large spin splittings due to the orbital degree of freedom and spin textures in a ferroelectric nitride perovskite

Abstract : First-principles simulations are conducted to predict that ferroelectric nitride perovskite LaWN 3 not only exhibits large spin splittings (2.7 eV Å) but also possesses unique spin textures for some of its conduction levels. Such spin splittings around the and L points cannot be interpreted as a typical mixture of Rashba or Dresselhaus configurations but rather require the development of four-band k • p models with high-order terms. We further identify that, for some bands, spin splittings can be greatly contributed by the pure orbital degree of freedom (PODF), a unique character of our four-band Hamiltonian compared to the traditional two-band version. The concept of PODF-enhanced spin splittings paves a way for designing materials with large spin splittings. Moreover, the energy levels possessing such large splittings and complex spin textures can be brought close to the conduction-band minimum by applying epitaxial strain.
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https://hal.archives-ouvertes.fr/hal-02988959
Contributor : Rémi Arras <>
Submitted on : Saturday, November 21, 2020 - 2:22:17 PM
Last modification on : Wednesday, April 14, 2021 - 3:40:18 AM
Long-term archiving on: : Monday, February 22, 2021 - 6:33:28 PM

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PhysRevB.102.041203.pdf
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Hong Jian Zhao, Peng Chen, Charles Paillard, Rémi Arras, Yue-Wen Fang, et al.. Large spin splittings due to the orbital degree of freedom and spin textures in a ferroelectric nitride perovskite. Physical Review B, American Physical Society, 2020, 102 (4), ⟨10.1103/PhysRevB.102.041203⟩. ⟨hal-02988959⟩

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