Enhanced spin–orbit coupling in hydrogenated and fluorinated graphene

Spin-orbit coupling in hydrogenated graphene.

First-principles calculations of the spin-orbit coupling in graphene with hydrogen adatoms in dense and dilute limits are presented. The chemisorbed hydrogen induces a giant local enhancement of spin-orbit coupling due to sp(3) hybridization which depends strongly on the local lattice distortion. Guided by the reduced symmetry and the local structure of the induced dipole moments, we use group ...

Spin-orbit coupling in fluorinated graphene

We report on theoretical investigations of the spin-orbit coupling effects in fluorinated graphene. First-principles density functional calculations are performed for the dense and dilute adatom coverage limits. The dense limit is represented by the single-side semifluorinated graphene, which is a metal with spin-orbit splittings of about 10 meV. To simulate the effects of a single adatom, we a...

Spin-Orbit Coupling Enhancement in Weakly Hydrogenated Graphene

Graphene holds considerable promise for novel applications in spintronics and quantum information processing because it has a high degree of electron mobility and gate tunability. Yet it also suffers from inherent drawbacks. For example, its lack of an energy band gap limits its capacity to be used in conventional charge-based semiconductor devices, and its extremely small spin-orbit (SO) inter...

Exchange interactions and frustrated magnetism in single-side hydrogenated and fluorinated graphene

Theory of spin-orbit induced spin relaxation in functionalized graphene

We perform a comparative study of the spin relaxation by spin-orbit coupling induced from adatoms (hydrogen and fluorine) in graphene. Two methods are applied, giving consistent results: a full quantum transport simulation of a graphene nanoribbon, and a T-matrix calculation using Green’s functions for a single adatom in graphene. For hydrogenated graphene the dominant spinorbit term for spin r...