Related papers: Comparing electron-phonon coupling strength in dia…
The absence of inversion symmetry leads to a strong spin-orbit splitting of the upper valence band of semiconducting single layer transition metal dichalchogenides such as MoS$_2$ or WS$_2$. This permits a direct comparison of the…
We study within a first-principle approach the band structure, vibrational modes and electron-phonon coupling in boron, aluminum and phosphorus doped silicon in the diamond phase. Our results provide evidences that the recently discovered…
We observe strong softening of optical phonon modes in superconducting (Tc = 4.2 K) boron doped diamond near the Brillouin zone center using inelastic x-ray scattering from a CVD-grown highly oriented sample. The magnitude of the softening,…
The electronic structure, lattice dynamics, and electron-phonon coupling of the boron-doped diamond are investigated using the density functional supercell method. Our results indicate the boron-doped diamond is a phonon mediated…
We investigate the possible occurrence of field-effect induced superconductivity in the hydrogenated $(111)$ diamond surface by first-principles calculations. By computing the band alignment between bulk diamond and the hydrogenated surface…
First-principles studies of the electron-phonon coupling in graphene predict a high coupling strength for the $\sigma$ band with $\lambda$ values of up to 0.9. Near the top of the $\sigma$ band, $\lambda$ is found to be $\approx 0.7$. This…
A method is proposed for the inclusion of electron correlation in the calculation of the temperature dependence of band structures arising from electron-phonon coupling. It relies on an efficient exploration of the vibrational phase space…
Motivated by recent experiments, we investigate the electron-vibron coupling in suspended carbon nanotube quantum dots, starting with the electron-phonon coupling of the underlying graphene layer. We show that the coupling strength depends…
Electron-phonon coupling (EPC) governs lattice dynamics, charge transport, and collective electronic phases in quantum materials. In several families of unconventional superconductors, including transition-metal dichalcogenides and kagome…
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…
Graphene moire superlattices are outstanding platforms to study correlated electron physics and superconductivity with exceptional tunability. However, robust superconductivity has been measured only in magic-angle twisted bilayer graphene…
Vacancy centers in diamond have proven to be a viable solid-state platform for quantum coherent opto-electronic applications. Among the variety of vacancy centers, silicon-vacancy (SiV) centers have recently attracted much attention as an…
The "standard" theory of a normal metal consists of an effective electron band which interacts with phonons and impurities. The effects due to the electron-phonon interaction are often delineated within the Migdal approximation; the…
The measured magnetization dynamics of ferromagnetic iron--cobalt Fe$_{1-x}$Co$_x$ alloys show a strong dependence on the alloy composition, especially near $x=0.25$. Here, we calculate from first principles the electron-phonon coupling…
Strong electron-electron interactions are known to significantly modify the electron-phonon coupling relative to the predictions of density functional theory, but this effect is challenging to calculate with realistic theories of strongly…
We study the effect of quantum vibronic coupling on the electronic properties of carbon allotropes, including molecules and solids, by combining path integral first principles molecular dynamics (FPMD) with a colored noise thermostat. In…
Realising controlled quantum dynamics via the magnetic interactions between colour centers in diamond remains a challenge despite recent demonstrations for nanometer separated pairs. Here we propose to use the intrinsic acoustical phonons…
We report strong electron-phonon coupling in magic-angle twisted bilayer graphene (MA-TBG) obtained from atomistic description of the system including more than 10000 atoms in the moire supercell. Electronic structure, phonon spectrum, and…
We have performed electronic structure calculations to explore the band-gap dependence on polytypes for $sp^3$-bonded semiconducting materials, i.e., SiC, AlN, BN, GaN, Si, and diamond. In this comprehensive study, we have found that…
Two possible phases of superhard material BC3 originating from the cubic diamond structure are investigated by ab initio pseudopotential density functional method using generalized gradient approximation (GGA). We calculate their elastic…