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Spin-orbit effects in ferroelectric PbTiO3 under tensile strain

Abstract : We report a study based on first-principles calculations complemented by a tight-binding approach and a k⋅p model of the spin-orbit effects in epitaxially strained PbTiO3. The imposed biaxial tensile strain allows us to rotate the electrical polarization of PbTiO3 from out-of-plane to in-plane directions through structural phase transitions between a tetragonal, monoclinic, and orthorhombic phase. It is found that Ti d-state conduction bands exhibit two strong Rashba-like spin-splitting parameters of (1) 0.39 eV Å at a tensile strain η=1.55% due to a polarization rotation in the monoclinic phase and (2) 1.08 eV Å under large tensile strain of 3.8% due to band anticrossing in the orthorhombic phase. Remarkably, we also identified the presence of a quasipersistent spin texture for the band with a dyz−zx character in the orthorhombic phase. We then conclude that using strain could be an interesting way to tune the spin-orbit effects in ferroelectric materials with technological interests.
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https://hal.archives-ouvertes.fr/hal-03295044
Contributor : Rémi Arras Connect in order to contact the contributor
Submitted on : Monday, October 11, 2021 - 4:15:52 PM
Last modification on : Monday, July 4, 2022 - 9:30:36 AM
Long-term archiving on: : Wednesday, January 12, 2022 - 8:19:15 PM

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PhysRevB.103.024416.pdf
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J. Gosteau, Rémi Arras, P. Chen, H. Zhao, Charles Paillard, et al.. Spin-orbit effects in ferroelectric PbTiO3 under tensile strain. Physical Review B, American Physical Society, 2021, 103 (2), pp.024416. ⟨10.1103/PhysRevB.103.024416⟩. ⟨hal-03295044⟩

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