Uncovering and tailoring hidden Rashba spin-orbit splitting in centrosymmetric crystals
Feb 15, 2019·
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0 min read
Linding Yuan
Qihang Liu
Xiuwen Zhang
Jun-Wei Luo
Shu-Shen Li
Alex Zunger
Abstract
Hidden Rashba and Dresselhaus spin splittings in centrosymmetric crystals
with subunits/sectors having non-centrosymmetric symmetries (the R-2 and
D-2 effects) have been predicted theoretically and then observed
experimentally, but the microscopic mechanism remains unclear. Here we
demonstrate that the spin splitting in the R-2 effect is enforced by
specific symmetries, such as non-symmorphic symmetry in the present
example, which ensures that the pertinent spin wavefunctions segregate
spatially on just one of the two inversion-partner sectors and thus
avoid compensation. We further show that the effective Hamiltonian for
the conventional Rashba (R-1) effect is also applicable for the R-2
effect, but applying a symmetry-breaking electric field to a R-2
compound produces a different spin-splitting pattern than applying a
field to a trivial, non-R-2, centrosymmetric compound. This finding
establishes a common fundamental source for the R-1 effect and the R-2
effect, both originating from local sector symmetries rather than from
the global crystal symmetry per se.
Type
Publication
Nature Communications 10, 906 (2019)

Authors
I develop predictive theories of condensed matter materials and propose them for experimentalists to make. My work pairs first-principles calculations with symmetry analysis to discover new classes of materials with interesting electronic and magnetic properties. Specific material class of interests include semicondcutors and ferroic materials. My recent interest extends to integrating these methods into agentic workflows to accelerate materials discovery.
I moved to Evanston in May 2023 to join the Rondinelli Group at Northwestern University as a research associate.