Related papers: Comparing electron-phonon coupling strength in dia…
The quasiparticle bands of diamond, a prototype covalent insulator, are herein studied by means of wave-function electronic-structure theory, with emphasis on the nature of the correlation hole around a bare particle. Short-range…
Silicon-vacancy (SiV) center in diamond is a photoluminescence (PL) center with a characteristic zero-phonon line energy at 1.681 eV that acts as a solid-state single photon source and, potentially, as a quantum bit. The majority of the…
Although a nuclear spin is weakly coupled to its environment, due to its small gyromagnetic ratio, its coherence time is limited by the hyperfine coupling to a nearby noisy electron. Here, we propose to utilize continuous dynamical…
After theoretical determination of the internal structural coordinates in Li$_2$Pd$_3$B, we calculate and analyze its electronic structure and obtain the frequencies of the two $A_g$ phonons (40.6 meV for nearly pure Li mode, 13.0 meV for…
The uncontrolled interaction of a quantum system with its environment is detrimental for quantum coherence. In the context of solid-state qubits, techniques to mitigate the impact of fluctuating electric and magnetic fields from the…
We report a detailed first-principles study of the structural, electronic and vibrational properties of the superconducting C$_{32}$ phase of the ternary alloy CaAl$_{2-x}$Si$_x$, both in the experimental range $0.6 \leq x \leq 1.2$, for…
The electronic structure and electron-phonon coupling in Y2C3 is investigated using density functional calculations. We find that the Fermi level falls in a manifold of mixed character derived from Y d states and antibonding states…
Diamond is studied by path integral molecular dynamics simulations of the atomic nuclei in combination with a tight-binding Hamiltonian to describe its electronic structure and total energy. This approach allows us to quantify the influence…
Dynamical mean-field theory computations of the electron self energy of the Hubbard-Holstein model as a function of electron-phonon and electron-electron interactions are analyzed to gain insight into the dependence of electron-phonon…
A nonperturbative dynamical coupling approach based on tight-binding molecular dynamics is used to evaluate the electron-ion (electron-phonon) coupling parameter in irradiated semiconductors as a function of the electronic temperature up to…
In most cases, as the strength of electron-phonon coupling increases, the effective mass of polarons typically increases. However, in this paper, we uncover a fascinating phenomenon: the presence of light polarons even within the strong…
Owing to extremely large band gap of 5.5 eV and high thermal conductivity, diamond is recognized as the most important semiconductor. The superconductivity of polycrystalline diamond has always been reported, but there are also many…
We propose and analyze a novel mechanism for long-range spin-spin interactions in diamond nanostructures. The interactions between electronic spins, associated with nitrogen-vacancy centers in diamond, are mediated by their coupling via…
The coupling between electrons and phonons is at the heart of many fundamental phenomena in physics. In nature, this coupling is generally predetermined for both, molecules and solids. Tremendous advances have been made in controlling…
We investigate electron-phonon coupling in the molecular crystals CH$_4$, NH$_3$, H$_2$O, and HF, using first-principles quantum mechanical calculations. We find vibrational corrections to the electronic band gaps at zero temperature of…
The search for long-lived quantum memories, which can be efficiently interfaced with flying qubits is longstanding. One possible solution is to use the electron spin of a color center in diamond to mediate interaction between a long-lived…
Quasi free-standing monolayer graphene can be produced by intercalating species like oxygen or hydrogen between epitaxial graphene and the substrate crystal. If the graphene is indeed decoupled from the substrate, one would expect the…
The strong coupling between lattice modes and charges which leads to the formation of charge density waves in materials such as the transition-metal dichalcogenides may also give rise to superconductivity in the same materials, mediated by…
Phonon properties of $\mathrm{Mo_3Sb_{7-x}Te_x}$ ($x=0,1.5, 1.7$), a potential high-temperature thermoelectric material, have been studied with inelastic neutron and x-ray scattering, and with first-principles simulations. The substitution…
We study bipolaron formation and bipolaronic superconductivity on a square lattice, where electrons couple to both local Holstein phonons via on-site charge density and nonlocal bond Su-Schrieffer-Heeger phonons via modulation of hopping…