k.p theory for two-dimensional transition metal dichalcogenide semiconductors
arXiv:1410.6666 · doi:10.1088/2053-1583/2/2/022001
Abstract
We present Hamiltonians parametrised by {\it ab initio} density functional theory calculations to describe the dispersion of the valence and conduction bands at their extrema (the , , , and points of the hexagonal Brillouin zone) in atomic crystals of semiconducting monolayer transition metal dichalcogenides. We review the parametrisation of the essential parts of the Hamiltonians for MoS, MoSe, WS, and WSe, including the spin-splitting and spin-polarisation of the bands, and we discuss the vibrational properties of these materials. We then use theory to analyse optical transitions in two-dimensional transition metal dichalcogenides over a broad spectral range that covers the Van Hove singularities in the band structure (the points). We also discuss the visualisation of scanning tunnelling microscopy maps.
topical review, 52 pages, 16 MB. The arXiv version contains a couple of more relevant experimental references, which have appeared very recently, than the published version
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- Quantum Criticality in Twisted Transition Metal Dichalcogenides
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- Ultrafast transition between exciton phases in van der Waals heterostructures
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- Enhanced Light-Matter Interaction in Two-Dimensional Transition Metal Dichalcogenides
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- Valley-mediated singlet- and triplet-polaron interactions and quantum dynamics in a doped WSe monolayer
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- Quantum-phase two-dimensional materials
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- Viscous hydrodynamics of excitons in van der Waals heterostructures
- Two dimensional semiconductors: optical and electronic properties
- Hydrostatic pressure control of the spin-orbit proximity effect, spin relaxation, and thermoelectricity in a phosphorene-WSe heterostructure
- Stable van der Waals heterostructures of NbS and Se for =Mo and W
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- Spectral properties of disordered Ising superconductors with singlet and triplet pairing in in-plane magnetic fields
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- Proximity-enabled control of spin-orbit coupling in phosphorene symmetrically and asymmetrically encapsulated by WSe monolayers
- Doping-induced non-Markovian interference causes excitonic linewidth broadening in monolayer WSe
- Component exchange theory of trions
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- Electron diffusion induced valley Hall effect and nonlinear galvanodiffusive transport in hexagonal 2D Dirac monolayer materials
- Stability of Wigner crystals and Mott insulators in twisted moiré structures
- Universal Spin Dynamics in Quantum Wires
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- Tunable resonant s-p mixing of excitons in van der Waals heterostructures
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- Ultrafast all-optical generation of pure spin and valley currents
- Manipulating single photon emitter radiative lifetime in transition-metal dichalcogenides through Forster resonance energy transfer to graphene
- Spin Pumping into two-dimensional systems
- Dissecting intervalley coupling mechanisms in monolayer transition metal dichalcogenides
- Topological Kondo semimetals emulated in hetero-bilayer transition metal dichalcogenides
- Analytical exciton energies in monolayer transition-metal dichalcogenides
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- Energy shifts and broadening of excitonic resonances in electrostatically-doped semiconductors
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- Electrically tunable and enhanced nonlinearity of moiré exciton-polaritons in transition metal dichalcogenide bilayers
- Data-Driven Forecasting of Non-Equilibrium Solid-State Dynamics
- The behavior of f-levels in HCP and BCC rare-earth elements in the ground state and in XPS and BIS spectroscopy from density-functional theory
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- Tuning transport in solid-state Bose-Fermi mixtures by Feshbach resonances
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- The Classification of Dimensional Reduced Hopf Insulators
- Density-dependent spin susceptibility and effective mass in monolayer MoSe2
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- Elementary excitations in the hybrid Bose-Fermi system induced by circularly polarized light in a two-dimensional gas of charge carriers with different masses
- Incommensurate Heterostructures in Momentum Space
- Efficient quadrature-squeezing from biexcitonic parametric gain in atomically thin semiconductors
- Crystallizing electrons with artificially patterned lattices
- Onset of spin-valley order and Stoner boundaries in twisted WSe
- Trion-phonon interaction in atomically thin semiconductors
- Non-Abelian Charge Transport in Three-Flavor Gauge Semimetal Model with Braiding Majoranas
- BCS-BEC crossover of polaritonic condensates in mass-imbalanced semimetal/semiconductor microcavities
- Quantum siphoning of finely spaced interlayer excitons in reconstructed MoSe2/WSe2 heterostructures
- Excitonic resonances in thin films of WSe2: From monolayer to bulk material