Ab initio study of electron-phonon interaction in phosphorene

Abstract

The monolayer of black phosphorous, or phosphorene, has recently emerged as a new 2D semiconductor with intriguing highly anisotropic transport properties. Existing calculations of its intrinsic phonon-limited electronic transport properties so far rely on the deformation potential approximation, which is in general not directly applicable to anisotropic materials since the deformation along one specific direction can scatter electrons traveling in all directions. We perform a first-principles calculation of the electron-phonon interaction in phosphorene based on density functional perturbation theory and Wannier interpolation. Our calculation reveals that 1) the high anisotropy provides extra phase space for electron-phonon scattering, and 2) optical phonons have appreciable contributions. Both effects cannot be captured by the deformation potential calculations.

25 pages, 15 figures

References in corpus (20)

• Electric Field Effect in Atomically Thin Carbon Films
• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Strain-Engineering Anisotropic Electrical Conductance of Phosphorene and Few-Layer Black Phosphorus
• Thermoelectric and Magnetothermoelectric Transport Measurements of Graphene
• Enhanced Thermoelectric Efficiency via Orthogonal Electrical and Thermal Conductances in Phosphorene
• Oxygen defects in phosphorene
• Electric Field Induced Topological Phase Transition in Two-Dimensional Few-layer Black Phosphorus
• Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principles
• Limits on electron quality in suspended graphene due to flexural phonons
• Tuning of the electronic and optical properties of single layer black phosphorus by strain
• Enhanced thermoelectric performance of phosphorene by strain-induced band convergence
• Significant reduction of lattice thermal conductivity by electron-phonon interaction in silicon with high carrier concentrations: a first-principles study
• Black Phosphorus Radio-Frequency Transistors
• Velocity Renormalization and Carrier Lifetime in Graphene from Electron-Phonon Interaction
• Origin of photoresponse in black phosphorus photo-transistors
• Modulation of electronic and mechanical properties of phosphorene through strain
• Observation of Low-frequency Interlayer Breathing Modes in Few-layer Black Phosphorus
• Electron-Phonon Interactions and the Intrinsic Electrical Resistivity of Graphene
• First-Principles Simulation of Electron Mean-Free-Path Spectra and Thermoelectric Properties in Silicon
• Large thermoelectric power factors in black phosphorus and phosphorene

Cited by in corpus (14)

• Performance of arsenene and antimonene double-gate MOSFETs from first principles
• A New Phosphorus Allotrope with Direct Band Gap and High Mobility
• Thermoelectric transport in monolayer phosphorene
• Thermoelectric Band Engineering: The Role of Carrier Scattering
• Scanning Ultrafast Electron Microscopy: A Novel Technique to Probe Photocarrier Dynamics with High Spatial and Temporal Resolutions
• Electron-phonon interaction and transport properties of metallic bulk and monolayer transition metal dichalcogenide TaS${}_2$
• Analysis of simple scattering models on the thermoelectric performance of analytical electron dispersions
• Phonon limited thermoelectric transport in Pb
• Charge carrier transport and lifetimes in n-type and p-type phosphorene as 2D device active materials: an ab initio study
• Theory of phonon side jump contribution in Anomalous Hall transport
• Reconstruction of an effective magnon mean free path distribution from spin Seebeck measurements in thin films
• Superconducting properties of doped blue phosphorene: Effects of non-adiabatic approach
• Anisotropy of the Optical Properties of Pentacene:Black Phosphorus Interfaces
• Thermoelectric properties of graphyne from first-principles calculations