Electronic structure and anisotropic Rashba spin-orbit coupling in monolayer black phosphorus
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2015
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We investigate the electronic structure of the monolayer black phosphorus (BP) using density-functional methods both with and without an applied electric field. We find that a simple one-band tight-binding Hamiltonian based on the p(z) orbitals and nearest-neighbor hopping is sufficient to describe the band structure in the gap region rather well and justification for this is given from symmetry arguments. The anisotropic nature of the band structure leads in turn to an anisotropic Rashba effect, where the magnitude of the spin splitting caused by an applied electric field is not only momentum dependent, but also depends on the direction of (k) over right arrow. The Rashba Hamiltonian is generalized for the anisotropic case, which reads: H-R = alpha(R) ((sigma) over right arrow x (k) over right arrow).(z) over cap, where the scaled momentum (k) over right arrow contains the anisotropy effect. The Rashba effect is studied quantitatively for BP from ab initio density-functional calculati...ons in the presence of an applied electric field. A byproduct of this work is the demonstration that the strength of the spin-orbit coupling for the outermost electrons in the atoms, which are relevant for the solids, increases only as the Landau-Lifshitz Z(2) scaling with the atomic number Z, rather than the higher power Z(4) scaling, as sometimes thought.
Izvor:
Physical Review B: Condensed Matter and Materials Physics, 2015, 92, 3Finansiranje / projekti:
- US Department of Energy, Office of Science [DE-FG02-00ER45818]
DOI: 10.1103/PhysRevB.92.035135
ISSN: 1098-0121; 1550-235X
WoS: 000358255100003
Scopus: 2-s2.0-84938917322
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Institucija/grupa
VinčaTY - JOUR AU - Popović, Zoran S. AU - Kurdestany, Jamshid Moradi AU - Satpathy, Sashi PY - 2015 UR - https://vinar.vin.bg.ac.rs/handle/123456789/663 AB - We investigate the electronic structure of the monolayer black phosphorus (BP) using density-functional methods both with and without an applied electric field. We find that a simple one-band tight-binding Hamiltonian based on the p(z) orbitals and nearest-neighbor hopping is sufficient to describe the band structure in the gap region rather well and justification for this is given from symmetry arguments. The anisotropic nature of the band structure leads in turn to an anisotropic Rashba effect, where the magnitude of the spin splitting caused by an applied electric field is not only momentum dependent, but also depends on the direction of (k) over right arrow. The Rashba Hamiltonian is generalized for the anisotropic case, which reads: H-R = alpha(R) ((sigma) over right arrow x (k) over right arrow).(z) over cap, where the scaled momentum (k) over right arrow contains the anisotropy effect. The Rashba effect is studied quantitatively for BP from ab initio density-functional calculations in the presence of an applied electric field. A byproduct of this work is the demonstration that the strength of the spin-orbit coupling for the outermost electrons in the atoms, which are relevant for the solids, increases only as the Landau-Lifshitz Z(2) scaling with the atomic number Z, rather than the higher power Z(4) scaling, as sometimes thought. T2 - Physical Review B: Condensed Matter and Materials Physics T1 - Electronic structure and anisotropic Rashba spin-orbit coupling in monolayer black phosphorus VL - 92 IS - 3 DO - 10.1103/PhysRevB.92.035135 ER -
@article{ author = "Popović, Zoran S. and Kurdestany, Jamshid Moradi and Satpathy, Sashi", year = "2015", abstract = "We investigate the electronic structure of the monolayer black phosphorus (BP) using density-functional methods both with and without an applied electric field. We find that a simple one-band tight-binding Hamiltonian based on the p(z) orbitals and nearest-neighbor hopping is sufficient to describe the band structure in the gap region rather well and justification for this is given from symmetry arguments. The anisotropic nature of the band structure leads in turn to an anisotropic Rashba effect, where the magnitude of the spin splitting caused by an applied electric field is not only momentum dependent, but also depends on the direction of (k) over right arrow. The Rashba Hamiltonian is generalized for the anisotropic case, which reads: H-R = alpha(R) ((sigma) over right arrow x (k) over right arrow).(z) over cap, where the scaled momentum (k) over right arrow contains the anisotropy effect. The Rashba effect is studied quantitatively for BP from ab initio density-functional calculations in the presence of an applied electric field. A byproduct of this work is the demonstration that the strength of the spin-orbit coupling for the outermost electrons in the atoms, which are relevant for the solids, increases only as the Landau-Lifshitz Z(2) scaling with the atomic number Z, rather than the higher power Z(4) scaling, as sometimes thought.", journal = "Physical Review B: Condensed Matter and Materials Physics", title = "Electronic structure and anisotropic Rashba spin-orbit coupling in monolayer black phosphorus", volume = "92", number = "3", doi = "10.1103/PhysRevB.92.035135" }
Popović, Z. S., Kurdestany, J. M.,& Satpathy, S.. (2015). Electronic structure and anisotropic Rashba spin-orbit coupling in monolayer black phosphorus. in Physical Review B: Condensed Matter and Materials Physics, 92(3). https://doi.org/10.1103/PhysRevB.92.035135
Popović ZS, Kurdestany JM, Satpathy S. Electronic structure and anisotropic Rashba spin-orbit coupling in monolayer black phosphorus. in Physical Review B: Condensed Matter and Materials Physics. 2015;92(3). doi:10.1103/PhysRevB.92.035135 .
Popović, Zoran S., Kurdestany, Jamshid Moradi, Satpathy, Sashi, "Electronic structure and anisotropic Rashba spin-orbit coupling in monolayer black phosphorus" in Physical Review B: Condensed Matter and Materials Physics, 92, no. 3 (2015), https://doi.org/10.1103/PhysRevB.92.035135 . .