Uncovering and tailoring hidden Rashba spin-orbit splitting in centrosymmetric crystals

Feb 15, 2019·
Linding Yuan
Linding Yuan
,
Qihang Liu
,
Xiuwen Zhang
,
Jun-Wei Luo
,
Shu-Shen Li
,
Alex Zunger
· 0 min read
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)
publications
Linding Yuan
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.