Related papers: Born-Oppenheimer Breakdown in Graphene
We calculate the finite-frequency conductivity of bilayer graphene with a relative twist between the layers. The low frequency response at zero doping shows a flat conductivity with value twice that of the monolayer case and at higher…
Bilayer graphene is a highly promising material for electronic and optoelectronic applications since it is supporting massive Dirac fermions with a tuneable band gap. However, no consistent picture of the gap's effect on the optical and…
Band structures encode electronic, optical, and acoustic properties of matter and can serve as an essential tool in material discovery and design. Dispersion anomalies -- sharp, non-standard features in the frequency-wavenumber relation --…
Since advanced Silicon-based device components are moderately chemically tunable, doped graphene has emerged as a promising candidate to replace this semiconducting material in flexible miniaturized electronic devices. Indeed, heteroatom…
Embedding materials in optical cavities has emerged as a strategy for tuning material properties. Accurate simulations of electrons in materials interacting with quantum photon fluctuations of a cavity are crucial for understanding and…
Boron-doped graphene was reported to be the best non-metal doped graphene electrocatalyst for the oxygen reduction reaction (ORR) working at an onset potential of 0.035 V [JACS 136 (2014) 4394]. In the present DFT study, intermediates and…
Sufficiently large depletion region for photocarrier generation and separation is a key factor for two-dimensional material optoelectronic devices, but few device configurations has been explored for a deterministic control of a space…
The effects of a propagating sinusoidal out-of-plane flexural deformation in the electronic properties of a tense membrane of graphene are considered within a non-perturbative approach, leading to an electron-ripple coupling. The…
We develop an ab initio method to simulate the infrared vibrational response of metallic systems in the framework of time-dependent density functional perturbation theory. By introducing a generalized frequency-dependent Born effective…
Graphene is a monolayer graphitic film in which electrons behave like two-dimensional Dirac fermions without mass. Its study has attracted a wide interest in the domain of condensed matter physics. In particular, it represents an ideal…
We construct the most generic Hamiltonian of the $8Pmmn$ structure of borophene sheet in presence of spin-orbit, as well as background electric and magnetic fields. In addition to spin and valley Hall effects, this structure offers a…
We report the ultrafast dynamics of the 47.4 THz coherent phonons of graphite interacting with a photoinduced non-equilibrium electron-hole plasma. Unlike conventional materials, upon photoexcitation the phonon frequency of graphite…
Electronic properties of materials are commonly described by quasiparticles that behave as non-relativistic electrons with a finite mass and obey the Schroedinger equation. Here we report a condensed matter system where electron transport…
In magic angle twisted bilayer graphene, transport, thermodynamic and spectroscopic experiments pinpoint at a competition between distinct low-energy states with and without electronic order. We use Dynamical Mean Field Theory (DMFT) on the…
Thin flakes of black phosphorus (BP) are a two-dimensional (2D) semiconductor whose energy gap is predicted being sensitive to the number of layers and external perturbations. Very recently, it was found that a simple method of potassium…
Quantum oscillations originating from the quantization of the electron cyclotron orbits provide ultrasensitive diagnostics of electron bands and interactions in novel materials. We report on the first direct-space nanoscale imaging of the…
Strong electron-phonon interaction which limits electronic mobility of semiconductors can also have significant effects on phonon frequencies. The latter is the key to the use of Raman spectroscopy for nondestructive characterization of…
The band structure of bilayer graphene is tunable by introducing a relative twist angle between the two layers, unlocking exotic phases, such as superconductor and Mott insulator, and providing a fertile ground for new physics. At…
Electron wavefunctions in twisted bilayer graphene may have a strong single layer character or be intrinsically delocalized between layers, with their nature often determined by how energetically close they are to the Dirac point. In this…
LiGa$_5$O$_8$ with a cubic spinel type structure was recently reported to be a ultra-wide-band-gap semiconductor with unintentional p-type conduction. While the origin of p-type doping is still unclear, the fundamental properties of this…