No Arabic abstract
Recent theory has demonstrated that the value of the electron-phonon coupling strength $lambda$ can be extracted directly from the thermal attenuation (Debye-Waller factor) of Helium atom scattering reflectivity. This theory is here extended to multivalley semimetal systems and applied to the case of graphene on different metal substrates and graphite. It is shown that $lambda$ rapidly increases for decreasing graphene-substrate binding strength. Two different calculational models are considered which produce qualitatively similar results for the dependence of $lambda$ on binding strength. These models predict, respectively, values of $lambda_{HAS} = 0.89$ and 0.32 for a hypothetical flat free-standing single-layer graphene with cyclic boundary conditions. The method is suitable for analysis and characterization of not only the graphene overlayers considered here, but also other layered systems such as twisted graphene bilayers.
He atom scattering has been shown to be a sensitive probe of electron-phonon interaction properties at surfaces. Here it is shown that measurements of the thermal attenuation of the specular He atom diffraction peak (the Debye-Waller effect) can determine the electron-phonon coupling constant $lambda$ for ultrathin films of metal overlayers on various close-packed metal substrates. Values of $lambda$ obtained for single and multiple monolayers of alkali metals, and for Pb layers on Cu(111), extrapolated to large thicknesses, agree favorably with known bulk values. This demonstrates that He atom scattering can measure the electron-phonon coupling strength as a function of film thickness on a layer-by-layer basis.
A new quantum-theoretical derivation of the elastic and inelastic scattering probability of He atoms from a metal surface, where the energy and momentum exchange with the phonon gas can only occur through the mediation of the surface free-electron density, shows that the Debye-Waller exponent is directly proportional to the electron-phonon mass coupling constant $lambda$. The comparison between the values of $lambda$ extracted from existing data on the Debye-Waller factor for various metal surfaces and the $lambda$ values known from literature indicates a substantial agreement, which opens the possibility of directly extracting the electron-phonon coupling strength in quasi-2D conducting systems from the temperature or incident energy dependence of the elastic Helium atom scattering intensities.
The electron-phonon coupling strength in the spin-split valence band maximum of single-layer MoS$_2$ is studied using angle-resolved photoemission spectroscopy and density functional theory-based calculations. Values of the electron-phonon coupling parameter $lambda$ are obtained by measuring the linewidth of the spin-split bands as a function of temperature and fitting the data points using a Debye model. The experimental values of $lambda$ for the upper and lower spin-split bands at K are found to be 0.05 and 0.32, respectively, in excellent agreement with the calculated values for a free-standing single-layer MoS$_2$. The results are discussed in the context of spin and phase-space restricted scattering channels, as reported earlier for single-layer WS$_2$ on Au(111). The fact that the absolute valence band maximum in single-layer MoS$_2$ at K is almost degenerate with the local valence band maximum at $Gamma$ can potentially be used to tune the strength of the electron-phonon interaction in this material.
Understanding the mechanisms of thermal conduction in graphene is a long-lasting research topic, due to its high thermal conductivity. Peierls-Boltzmann transport equation (PBTE) based studies have revealed many unique phonon transport properties in graphene, but most previous works only considered three-phonon scatterings and relied on interatomic force constants (IFCs) extracted at 0 K. In this paper, we explore the roles of four-phonon scatterings and the temperature dependent IFCs on phonon transport in graphene through our PBTE calculations. We demonstrate that the strength of four-phonon scatterings would be severely overestimated by using the IFCs extracted at 0 K compared with those corresponding to a finite temperature, and four-phonon scatterings are found to significantly reduce the thermal conductivity of graphene even at room temperature. In order to reproduce the prediction from molecular dynamics simulations, phonon frequency broadening has to be taken into account when determining the phonon scattering rates. Our study elucidates the phonon transport properties of graphene at finite temperatures, and could be extended to other crystalline materials.
The zone-center $E_{2g}$ modes play a crucial role in MgB$_2$, controlling the scattering mechanisms in the normal state as well the superconducting pairing. Here, we demonstrate via first-principles quantum-field theory calculations that, due to the anisotropic electron-phonon interaction, a $hot$-$phonon$ regime where the $E_{2g}$ phonons can achieve significantly larger effective populations than other modes, is triggered in MgB$_2$ by the interaction with an ultra-short laser pulse. Spectral signatures of this scenario in ultrafast pump-probe Raman spectroscopy are discussed in detail, revealing also a fundamental role of nonadiabatic processes in the optical features of the $E_{2g}$ mode.