Electron-phonon coupling and hot electron thermalization in titanium nitride
arXiv:1908.06620 · doi:10.1103/PhysRevMaterials.3.115203
Abstract
We have studied the thermalization of hot carriers in both pristine and defective titanium nitride (TiN) using a two-temperature model. All parameters of this model, including the electron-phonon coupling parameter, were obtained from first-principles density-functional theory calculations. The virtual crystal approximation was used to describe defective systems. We find that thermalization of hot carriers occurs on much faster time scales than in gold as a consequence of the significantly stronger electron-phonon coupling in TiN. Specifically, the largest thermalization times, on the order of 200 femtoseconds, are found in TiN with nitrogen vacancies for electron temperatures around 4000 K.
arXiv comment22 pages, 6 figures
References in corpus (14)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Pseudopotentials for high-throughput DFT calculations
- Electron-phonon interactions from first principles
- Thermal Contraction and Disordering of the Al(110) Surface
- BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis
- Influence of halide composition on the structural, electronic, and optical properties of mixed CHNHPb(IBr) perovskites calculated using the virtual crystal approximation method
- First-principles study of (BiScO3){1-x}-(PbTiO3){x} piezoelectric alloys
- Ab initio phonon coupling and optical response of hot electrons in plasmonic metals
- Electron-Phonon Coupling in High-Temperature Cuprate Superconductors Determined from Electron Relaxation Rates
- Ultrafast Hot Carrier Dynamics in GaN and its Impact on the Efficiency Droop
- Attosecond screening dynamics mediated by electron-localization
- Simulating pump-probe photo-electron and absorption spectroscopy on the attosecond time-scale with time-dependent density-functional theory
- Hot carrier dynamics in plasmonic transition metal nitrides
- Hole dynamics in noble metals
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- Non-equilibrium scalar field dynamics starting from Fock states: Absence of thermalization in one dimensional phonons coupled to fermions
- Anisotropic hot carrier relaxation mediated by electron phonon scattering in TiN thin films