Related papers: Ab initio transport calculations: from normal to s…
We develop a theoretical framework for probing superconductivity with momentum resolution using the quantum twisting microscope (QTM), a planar tunneling device where a graphene tip is rotated relative to a two-dimensional sample. Because…
In this work we performed density functional theory calculations for a twisted bilayer graphene (BLG). Several conmensurable rotation angles were analyzed and for each one a constant height mode STM image was obtained. These STM images,…
We investigate the second-order von Neumann approach from a diagrammatic point-of-view and demonstrate its equivalence with the resonant tunneling approximation. Investigation of higher-order diagrams shows that the method correctly…
The sheet current model underlying the software 3D-MLSI package for calculation of inductances of multilayer superconducting circuits, has been further elaborated. The developed approach permits to overcome serious limitations on the shape…
Details are presented of an efficient formalism for calculating transmission and reflection matrices from first principles in layered materials. Within the framework of spin density functional theory and using tight-binding muffin-tin…
Superconducting devices, which rely on modulating a complex superconducting order parameter in a Josephson junction, have been developed for low power logic operations, high-frequency oscillators, and exquisite magnetic field sensors.…
The emergence of superconductivity with strong correlation is one of the most attracted issues in condensed-matter physics, as seen in various unconventional superconductors. Here we show a new strongly correlated superconductor Li1-xNbO2…
An ab-initio investigation of structural parameters, elastic, electronic, thermodynamic and optical properties of MAX phases Nb2AC (A = S, Sn) has been carried out by the plane wave psedudopotential method based on density functional theory…
We present an \textit{ab initio} theory for superconductors, based on a unique mapping between the statistical density operator at equilibrium, on the one hand, and the corresponding one-body reduced density matrix $\gamma$ and the…
A simple model for simulating the current dynamics and the magnetic properties of superconductors is presented. Short simulation times are achieved by solving the differential form of Maxwell's equations inside the sample, whereas…
We implement the Bogoliubov-de Gennes (BdG) equation in a screened Korringa-Kohn-Rostoker (KKR) method for solving, self-consistently, the superconducting state for 3d crystals. This method combines the full complexity of the underlying…
We analyze the charge and spin transport through a ballistic ferromagnet/insulator/superconductor junction by means of the Bogoliubov-de Gennes equations. For the ferromagnetic side we assume that ferromagnetism may be driven by an unequal…
We address an inverse problem in modeling holographic superconductors. We focus our research on the critical temperature behavior depicted by experiments. We use a physics-informed neural network method to find a mass function $M(F^2)$,…
We have examined a method of direct extraction of accurate tight-binding parameters from an ab-initio band-structure calculation. The linear muffin-tin potential method, in its full-potential implementation, has been used to provide the…
The discovery of novel superconducting materials is a longstanding challenge in materials science, with a wealth of potential for applications in energy, transportation, and computing. Recent advances in artificial intelligence (AI) have…
The Nambu - Bogoliubov - de Gennes method is applied to the problem of superconducting QCD. The effective quark-quark interaction is described within the framework of the Nambu - Jona-Lasinio model. The details of the phase diagram are…
We investigate the transport through a quantum ring, a dot and a barrier embedded in a nanowire in a homogeneous perpendicular magnetic field. To be able to treat scattering potentials of finite extent in magnetic field we use a mixed…
While the vast majority of calculations reported on molecular conductance have been based on the static non-equilibrium Green's function formalism combined with density functional theory, in recent years a few time-depedent approaches to…
We calculate the tunneling conductance spectra of a ferromagnetic metal / insulator / triplet superconductor from the reflection amplitudes using the Blonder-Tinkham-Klapwijk (BTK) formula. For the triplet superconductor, we assume one…
A microscopic model for describing a superconducting mesoscopic weak link is presented. We consider a model geometry consisting of a narrow channel coupled to wider superconducting electrodes which act as reservoirs fixing the asymptotic…