Author(s): Guan, S (Guan, Shan); Luo, JW (Luo, Jun-Wei)

Source: PHYSICAL REVIEW B Volume: 102 Issue: 18 Article Number: 184104 DOI: 10.1103/PhysRevB.102.184104 Published: NOV 9 2020

Abstract: Hidden spin polarization (HSP) emerges in centrosymmetric crystals where visible spin splittings in the real space can be observed because of the lack of inversion symmetry in each local sector. Starting from tight-binding models, we introduce nonsymmorphic antiferroelectric (AFE) crystals as a new class of functional materials that can exhibit strong local spin polarization. Such AFE crystals can be basically classified as in-plane and out-of-plane AFE configurations and can be reversibly switched to the ferroelectric phase by an electric field to manifest global spin splittings, enabling a nonvolatile electrical control of spin-dependent properties. Based on first-principles calculations, we predict the realization of strong HSP in the AFE phase of a newly discovered two-dimensional material, quintuple-layer (QL) LiBiO2. Furthermore, the spontaneous electric polarization (similar to 0.3 nC/m) and the transition barrier as well as the tunable spin polarization of QL LiBiO2 are discussed.

Accession Number: WOS:000587594900002

ISSN: 2469-9950

eISSN: 2469-9969

Full Text: https://journals.aps.org/prb/abstract/10.1103/PhysRevB.102.184104