Modelling ultrafast non-equilibrium carrier dynamics and relaxation processes upon irradiation of hexagonal Silicon-Carbide with femtosecond laser pulses

Abstract

We present a theoretical investigation of the yet unexplored dynamics of the produced excited carriers upon irradiation of hexagonal Silicon Carbide (6H-SiC) with femtosecond laser pulses. To describe the ultrafast behaviour of laser induced out-of-equilibrium carriers, a real time simulation based on Density Functional Theory (DFT) methodology is used to compute both the hot carrier dynamics and transient change of the optical properties. A Two-Temperature model (TTM) is also employed to derive the relaxation processes for laser pulses of wavelength 401 nm, duration 50 fs at normal incidence irradiation which indicate that surface damage on the material occurs for fluence ~1.88 Jcm-2. This approach of linking, for the first time, real time calculations, transient optical properties and TTM modelling, has strong implications for understanding both the ultrafast dynamics and relaxation processes and providing a precise investigation of the impact of hot carrier population in surface damage mechanisms in solids.

arXiv commentTo appear in Physical Review B

References in corpus (22)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Yambo: an \textit{ab initio} tool for excited state calculations
• Many-body perturbation theory calculations using the yambo code
• Dynamics of ripple formation on silicon surfaces by ultrashort laser pulses in sub-ablation conditions
• From ripples to spikes: a hydro-dynamical physical mechanism to interpret femtosecond laser induced self-assembled structures
• Anisotropic Thermal Conductivity of 4H and 6H Silicon Carbide Measured Using Time-Domain Thermoreflectance
• Biomimetic Omnidirectional Anti-reflective Glass via Direct Ultrafast Laser Nanostructuring
• Laser damage in silicon: energy absorption, relaxation and transport
• Possible surface plasmon polariton excitation under femtosecond laser irradiation of silicon
• Convection roll-driven generation of supra-wavelength periodic surface structures on dielectrics upon irradiation with femtosecond pulsed lasers
• Rippled area formed by surface plasmon polaritons upon femtosecond laser double-pulse irradiation of silicon: the role of carrier generation and relaxation processes
• Modelling periodic structure formation on 100Cr6 steel after irradiation with femtosecond-pulsed laser beams
• Thermoplastic deformation of silicon surfaces induced by ultrashort pulsed lasers in submelting conditions
• Coherent and Incoherent Structural Dynamics in Laser-Excited Antimony
• The influence of ultrafast temporal energy regulation on the morphology of Si surfaces through femtosecond double pulse laser irradiation
• Tuning the period of femtosecond laser induced surface structures in steel: from angled incidence to quill writing
• Formation of periodic surface structures on dielectrics after irradiation with laser beams of spatially variant polarisation: a comparative study
• Ultrafast dynamics and sub-wavelength periodic structure formation following irradiation of GaAs with femtosecond laser pulses
• Ultrafast dynamics and surface plasmon properties of Silicon upon irradiation with mid-infrared femtosecond laser pulses
• Real-time dynamics of Auger wavepackets and decays in ultrafast charge migration processes
• Thermal response of double-layered metal films after ultrashort pulsed laser irradiation: the role of nonthermal electron dynamics
• Partial ablation of Ti/Al nano-layer thin film by single femtosecond laser pulse

Cited by in corpus (4)

• Predictive modeling approaches in laser-based material processing
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• Method of numerical simulation of interacting quantum gas kinetics on finite momentum lattice