High harmonic generation in crystals using Maximally Localized Wannier functions
arXiv:1904.00283 · doi:10.1103/PhysRevB.100.195201
Abstract
In this work, the nonlinear optical response, and in particular, the high harmonic generation of semiconductors is addressed by using the Wannier gauge. One of the main problems in the time evolution of the Semiconductor Bloch equations resides in the fact that the dipole couplings between different bands can diverge and have a random phase along the reciprocal space and this leads to numerical instability. To address this problem, we propose the use of the Maximally Localized Wannier functions that provide a framework to map ab-initio calculations to an effective tight-binding Hamiltonian with great accuracy. We show that working in the Wannier gauge, the basis set in which the Bloch functions are constructed directly from the Wannier functions, the dipole couplings become smooth along the reciprocal space thus avoiding the problem of random phases. High harmonic generation spectrum is computed for a 2D monolayer of hBN as a numerical demonstration.
References in corpus (19)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- The electronic properties of graphene
- Maximally-localized generalized Wannier functions for composite energy bands
- Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
- Maximally localized Wannier functions: Theory and applications
- Sub-cycle control of terahertz high-harmonic generation by dynamical Bloch oscillations
- Ab initio calculation of the anomalous Hall conductivity by Wannier interpolation
- High harmonic imaging of ultrafast many-body dynamics in strongly correlated systems
- Ellipticity dependence of high-harmonic generation in solids: unraveling the interplay between intraband and interband dynamics
- Ab-initio multi-scale simulation of high-harmonic generation in solids
- High-harmonic generation in solids with and without topological edge states
- Topological strong field physics on sub-laser cycle time scale
- The Effect of Multiple Conduction Bands on High Harmonic Emission from Dielectrics
- Wannier-Bloch approach to localization in high harmonics generation in solids
- Gauge covariances and nonlinear optical responses
- Strong-Field Resonant Dynamics in Semiconductors
- Quantum beats in the polarization response of a dielectric to intense few-cycle laser pulses
- Gauge invariance and the interpretation of inter- and intraband processes in high-order harmonic generation from bulk solids
- A Gauge Invariant Formulation of Interband and Intraband Currents in Solids
Cited by in corpus (30)
- Topological strong field physics on sub-laser cycle time scale
- Introduction to theory of high-harmonic generation in solids: tutorial
- Circular dichroism in high-order harmonic generation: Heralding topological phases and transitions in Chern insulators
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- Imperfect Recollisions in High-Harmonic Generation in Solids
- Tracking ultrafast solid-state dynamics using high harmonic spectroscopy
- Structure- and laser-gauges for the semiconductor Bloch equations in high-harmonic generation in solids
- Lightwave-controlled band engineering in quantum materials
- The Role of Shift Vector in High-Harmonic Generation from Non-Centrosymmetric Topological Insulators under Strong Laser Fields
- Semiconductor-Bloch Formalism: Derivation and Application to High-Harmonic Generation from Dirac Fermions
- Characterizing Anomalous High-Harmonic Generation in Solids
- How to obtain complex transition dipole moments satisfying crystal symmetry and periodicity from ab-initio calculations
- Assessing the role of interatomic position matrix elements in tight-binding calculations of optical properties
- Microscopic analysis of high harmonic generation in semiconductors with degenerate bands
- A theoretical approach for electron dynamics and ultrafast spectroscopy
- Doping and gap-size dependence of high-harmonic generation in graphene : Importance of consistent formulation of light-matter coupling
- Formation, stability, and highly nonlinear optical response of excitons to intense light fields interacting with two-dimensional materials
- Theory for all-optical responses in topological materials: the velocity gauge picture
- All-optical valley switch and clock of electronic dephasing
- High-Harmonic Generation with a twist: all-optical characterization of magic-angle twisted bilayer graphene
- Influence of chirp and carrier-envelope phase on non-integer high-harmonic generation
- Two-Particle Tight-Binding Description of Higher-Harmonic Generation in Semiconductor Nanostructures
- Topological phase transitions via attosecond x-ray absorption spectroscopy
- Reconstruction of attosecond beating by interference of two-photon interband transitions in solids
- Spatial polarization gating of high-harmonic generation in solids
- First-principle based Floquet engineering of solids in the velocity gauge
- Light-wave coherent control of the insulator-to-metal transition in a strongly correlated material
- Simulating strong-field electron-hole dynamics in solids probed by attosecond transient absorption spectroscopy
- Modeling high-order harmonic generation in quantum dots using a real-space tight-binding approach
- Semiconductor Bloch equations in Wannier gauge with well-behaved dephasing