Hidden spin polarization in inversion-symmetric bulk crystals

Abstract

Spin-orbit coupling (SOC) can induce spin polarization in nonmagnetic 3D crystals when the inversion symmetry is broken, as manifested by the bulk Rashba (R-1) and Dresselhaus (D-1) effects. We determine that these spin polarization effects originate fundamentally from specific atomic site asymmetries, rather than from the generally accepted asymmetry of the crystal space-group. This understanding leads to the recognition that a previously overlooked hidden form of spin polarization should exist in centrosymmetric materials. Although all energy bands must be doubly degenerate in centrosymmetric materials, we find that the two components of such doubly degenerate bands could have opposite polarizations each spatially localized on one of the two separate sectors forming the inversion partners. We demonstrate such hidden spin polarizations in centrosymmetric crystals (denoted as R-2 and D-2) by first-principles calculations. This new understanding could considerably broaden the range of currently useful spintronic materials and enable control of spin polarization via operations on atomic scale.