Band-structure topologies of graphene: Spin-orbit coupling effects from first principles
By M. Gmitra, S. Konschuh, C. Ertler, Claudia Ambrosch-Draxl, Jaroslav Fabian. 2009
485 citations recorded by the source corpus.
The electronic band structure of graphene in the presence of spin-orbit coupling and transverse electric field is investigated from first principles using the linearized augmented plane-wave method. The spin-orbit coupling opens a gap at the $K(K')$-point of the magnitude of 24 $\mu$eV (0.28 K). This intrinsic splitting comes 96% from the usually neglected $d$ and higher orbitals. The electric field induces an additional (extrinsic) Bychkov-Rashba-type splitting of 10 $\mu$eV (0.11 K) per V/nm, coming from the $\sigma$-$\pi$ mixing. A 'mini-ripple' configuration with every other atom is shifted out of the sheet by less than 1% differs little from the intrinsic case.
Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/b6b93aa64d304359ae632006bab703af977f2e30
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In Atomic and Molecular Physics, and Optics
In Materials Chemistry
Citations in the corpus
- Colloquium : Spintronics in graphene and other two-dimensional materials (2019, background): “Ab initio calculations lower this estimate by an order of magnitude (Gmitra et al., 2009; Konschuh et al., 2010).”
- Engineering a robust quantum spin Hall state in graphene via adatom deposition (2011, background): “[11] M.”
- Topological Semimetals in Square-Net Materials (2018, background): “SOC creates a gap at the Dirac crossing points, even graphene theoretically has a small gap, but it is too small to be experimentally resolved (30).”