相关论文: Quantum vibronic effects on the electronic propert…
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…
Recent advances in nanofabrication technology now enable unprecedented control over 2D heterostructures, in which single- or few-atom thick materials with synergetic opto-electronic properties can be combined to develop next-generation…
A theoretical model is provided to address the parameters influencing the electronic properties of kink-structured carbon chain at 0K. It is studied by the principle of DFT and solving the numerical 1D time-independent Schr\"odinger…
The properties of the electron-phonon interaction in the presence of a sizable electronic repulsion at finite doping are studied by investigating the metallic phase of the Hubbard-Holstein model with Dynamical Mean Field Theory. Analyzing…
Kohn anomalies are kinks or dips in phonon dispersions which are pronounced in low-dimensional materials. We investigate the effects of non-adiabatic phonon self-energy on Kohn anomalies in one-dimensional metals by developing a model that…
We combine the effect of the electron-electron and electron-phonon interactions to study the electronic and optical properties of zb-GaN. We show that only by treating the two effects at the same time it is possible to obtain an…
Photoemission and phonon spectroscopies have yielded widely varying estimates of the electron-phonon coupling constant \lambda\ on the surfaces of topological insulators, even for a particular material and technique. We connect the results…
Diamondoids are a unique form of carbon nanostructure best described as hydrogen-terminated diamond molecules. Their diamond-cage structures and tetrahedral sp3 hybrid bonding create new possibilities for tuning electronic band gaps,…
Electron-phonon coupling, diagonal in a real space formulation, leads to polaron paradigm of smoothly varying properties. However, fundamental changes, namely the singular behavior of polarons, occur if non-diagonal pairing is involved into…
To describe the interaction of molecular vibrations with electrons at a quantum dot contacted to metallic leads, we extend an analytical approach that we previously developed for the many-polaron problem. Our scheme is based on an…
Anharmonic atomic motions can strongly influence the optoelectronic properties of materials but how these effects are connected to the underlying phonon band structure is not understood well. We investigate how the electronic band gap is…
We investigate the effect of tuning the phonon energy on the correlation effects in models of electron-phonon interactions using DMFT. In the regime where itinerant electrons, instantaneous electron-phonon driven correlations and static…
We find that the optical properties of carbon nanotubes reflect remarkably strong effects of exciton-phonon coupling. Tight-binding calculations show that a significant fraction of the spectral weight of the absorption peak is transferred…
We investigate the effect of electron-phonon coupling on low temperature phases in metallic single-wall carbon nanotubes. We obtain low-temperature phase diagrams of armchair and zigzag type nanotubes with screened interactions with a…
Molecular motion at metallic surfaces is affected by nonadiabatic effects and electron-phonon coupling. The ensuing energy dissipation and dynamical steering effects are not captured by classical molecular dynamics simulations, but can be…
With the ever-increasing sophistication of codes, the verification of the implementation of advanced theoretical formalisms becomes critical. In particular, cross comparison between different codes provides a strong hint in favor of the…
Electronic screening strongly renormalizes the linear bands which occur near the Dirac crossing in graphene. The single bare Dirac crossing is split into two individual Dirac-like points, which are separated in energy but still at zero…
A unified approach is used to study vibrational properties of periodic systems with first-principles methods and including anharmonic effects. Our approach provides a theoretical basis for the determination of phonon-dependent quantities at…
The adiabatic Born-Oppenheimer approximation is considered to be a robust approach that very rarely breaks down. Consequently, it is predominantly utilized to address various electron-phonon properties in condensed matter physics. By…
The influence of the orientation of gold nanorods in different assemblies has been investigated using the Finite Difference Time Domain (FDTD) simulation method. To understand the relative orientation, we vary the size and angle in dimer…