Related papers: First-principles approach to thin superconducting …
A numerical method is developed to calculate the transition temperature of double or multi-layers consisting of films of super- and normal conductors. The approach is based on a dynamic interpretation of Gorkov's linear gap equation and is…
Recent experimental advances in surface science have made it possible to track the evolution of superconductivity in films as the thickness enters the nanoscale region where it is expected that the substrate plays an important role. Here,…
We develop a practical first-principles methodology to determine nonradiative carrier capture coefficients at defects in semiconductors. We consider transitions that occur via multiphonon emission. Parameters in the theory, including…
We present an experimental approach for cryogenic dielectric measurements on ultra-thin insulating films. Based on a coplanar microwave waveguide design we implement superconducting quarter-wave resonators with inductive coupling, which…
While phonon topology in crystalline solids has been extensively studied, its influence on thermal transport-especially in nanostructures-remains elusive. Here, by combining first-principles-based machine learning potentials with the phonon…
The thickness-dependent energy gap oscillations in the metallic nanofilms are investigated by the use of the self-consistent numerical solutions of the Bogoliubov-de Gennes equations. It is shown, that the oscillations are induced by the…
We develop a first-principles simulation method for attosecond time-resolved photoelectron spectroscopy. This method enables us to directly simulate the whole experimental processes, including excitation, emission and detection on equal…
We theoretically investigate ultrafast and nonlinear optical properties of graphite thin films based on first-principles time-dependent density functional theory. We first calculate electron dynamics in a unit cell of graphite under a…
We have examined the role of the substrate on electron-phonon coupling in normal metal films of Mn-doped Al at temperatures below 1 K. Normal metal-insulator-superconductor junctions were used to measure the electron temperature in the…
We report first-principle atomistic simulations on the effect of local strain gradients on the nanoscale domain morphology of free-standing PbTiO$_3$ ultrathin films. First, the ferroelectric properties of free films at the atomic level are…
Conventional methods to calculate the thermodynamics of crystals evaluate the harmonic phonon spectra and therefore do not work in frequent and important situations where the crystal structure is unstable in the harmonic approximation, such…
Thermoelectrics are a promising class of materials for renewable energy owing to their capability to generate electricity from waste heat, with their performance being governed by a competition between charge and thermal transport. A…
The mean-free-paths (MFPs) of energy carriers are of critical importance to the nano-engineering of better thermoelectric materials. Despite significant progress in the first-principles-based understanding of the spectral distribution of…
The features of phonon spectra and their effect on the vibrational heat capacity of linear chains of inert gas atoms adsorbed onto a substrate, which is the surface of nanotubes bound to a nanobundle. The influence of the substrate results…
The temperature behaviour of the first critical field ($B_{C1}$) of superconducting thin film samples can be determined with high accuracy using an inductive and contactless method. Driving a sinusoidal current in a single coil placed in…
The present study delves into exploring the impact of a thin protective layer of scandium nitride (ScN) on the superconductive properties of thin films of niobium nitride (NbN) generated through reactive magnetron deposition. This is the…
We investigate the role of the substrate for the strength of the electon phonon coupling in Li-decorated graphene. We find that the interaction with a $h$-BN substrate leads to a significant enhancement from $\lambda_0=0.62$ to…
We report on scalable heterointegration of superconducting electrodes and epitaxial semiconductor quantum dots on strong piezoelectric and optically nonlinear lithium niobate. The implemented processes combine the sputter-deposited thin…
We develop a first-principles framework for evaluating the fundamental length scales of superconductivity, namely the coherence length $\xi_0$ and the magnetic penetration depth $\lambda_\mathrm{L}$, within superconducting density…
We report on the study of phonon properties and electron-phonon coupling in thin NbTiN films, which are intensively exploited in superconducting devices. Studied NbTiN films with thicknesses less than 10~nm are disordered with respect to…