Significant reduction of lattice thermal conductivity by electron-phonon interaction in silicon with high carrier concentrations: a first-principles study

Abstract

Electron-phonon interaction has been well known to create major resistance to electron transport in metals and semiconductors, whereas less studies were directed to its effect on the phonon transport, especially in semiconductors. We calculate the phonon lifetimes due to scattering with electrons (or holes), combine them with the intrinsic lifetimes due to the anharmonic phonon-phonon interaction, all from first-principles, and evaluate the effect of the electron-phonon interaction on the lattice thermal conductivity of silicon. Unexpectedly, we find a significant reduction of the lattice thermal conductivity at room temperature as the carrier concentration goes above 1e19 cm-3 (the reduction reaches up to 45% in p-type silicon at around 1e21 cm-3), a range of great technological relevance to thermoelectric materials.

arXiv comment19 pages, 5 figures

References in corpus (6)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Phonons and related properties of extended systems from density-functional perturbation theory
• Maximally localized Wannier functions: Theory and applications
• EPW: A program for calculating the electron-phonon coupling using maximally localized Wannier functions
• Gallium Arsenide Thermal Conductivity and Optical Phonon Relaxation Times from First-Principles Calculations
• Thermoelectric transport properties of silicon: Towards an ab initio approach

Cited by in corpus (45)

• Electron-phonon interactions from first principles
• EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions
• Fröhlich electron-phonon vertex from first principles
• Ab initio study of electron-phonon interaction in phosphorene
• First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs
• Accelerated screening of thermoelectric materials by first-principles computations of electron-phonon scattering
• Theory of Thermal Relaxation of Electrons in Semiconductors
• Ab initio optimization of phonon drag effect for lower-temperature thermoelectric energy conversion
• First-principles dynamics of electrons and phonons
• Phonon-limited electron mobility in Si, GaAs and GaP with exact treatment of dynamical quadrupoles
• Ultralow thermal conductivity in two-dimensional MoO${}_3$
• High thermoelectric performance in the hexagonal bilayer structure consisting of light boron and phosphorus elements
• Temperature-dependent thermal conductivity in nanoporous materials studied by the Boltzmann Transport Equation
• Direct visualization of polaron formation in the thermoelectric SnSe
• Phoebe: a High-Performance Framework for Solving Phonon and Electron Boltzmann Transport Equations
• Controlling Thermal Conductivity of Two-dimensional Materials via Externally Induced Phonon-Electron Interaction
• Coupled transport of phonons and carriers in semiconductors: A case study of n-doped GaAs
• Enhancing thermal conductivity of bulk polyethylene along two directions by paved crosswise laminate
• How Does van der Waals Confinement Enhance Phonon Transport?
• Tutorial: Characterizing Microscale Energy Transport in Materials with Transient Grating Spectroscopy
• Electron-induced non-monotonic pressure dependence of the lattice thermal conductivity of θ-TaN
• Ab initio dipolar electron-phonon interactions in two-dimensional materials
• Charge fluctuations above $T_{\mathrm{CDW}}$ revealed by glasslike thermal transport in kagome metals $A$V${}_3$Sb${}_5$ ($A$ = K, Rb, Cs)
• Significant Phonon Drag Effect in Wide Bandgap GaN and AlN
• Phonon softening near topological phase transitions
• Phonon Bottleneck Identification in Disordered Nanoporous Materials
• Optical and thermal characterization of a group-III nitride semiconductor membrane by microphotoluminescence spectroscopy and Raman thermometry
• Phonon limited thermoelectric transport in Pb
• Excitation-Dependent High-Lying Excitonic Exchange via Interlayer Energy Transfer from Lower-to-Higher Bandgap 2D Material
• Leveraging Electron-Phonon Interaction to Enhance Thermoelectric Power Factor in Graphene-Like Semimetals
• Time-resolved vibrational-pump visible-probe spectroscopy for thermal conductivity measurement of metal-halide perovskites
• High thermoelectric performance in metastable phase of silicon: a first-principles study
• Effect of Electron-Phonon Interaction and Ionized Impurity Scattering on the Room Temperature Thermoelectric Properties of Bulk $MoS{e}_2$
• Band gap renormalization, carrier mobility, and transport in Mg${}_2$Si and Ca${}_2$Si: \textit{Ab initio} scattering and Boltzmann transport equation study
• Large modulation of thermal transport in 2D semimetal triphosphides by doping-induced electron-phonon coupling
• Physics-Informed Neural Networks for Solving Multiscale Mode-Resolved Phonon Boltzmann Transport Equation
• Thermal conductivity of intrinsic semiconductor at elevated temperature: role of four-phonon scattering and electronic heat conduction
• Impact of Electron-Phonon Interaction on Thermal Transport: A Review
• Anharmonic dephasing in the electron-phonon interaction
• Overscreening-free electron-phonon interaction in realistic materials
• Dopant-modulated lattice softening drives drastic thermal conductivity reduction in β-FeSi2 thermoelectrics
• Distinctive Thermoelectric Properties of Supersaturated Si-Ge-P Compounds: Achieving Figure of Merit ZT > 3.6
• The elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equations
• The lattice and electronic thermal conductivity of doped SnSe: a first-principles study
• Thermal transport in crystals: from the quantum Dyson equation to mesoscopic phonon hydrodynamics