Related papers: Intrinsic breakdown strength: theoretical derivati…
We study the relationship between the shape of the electronic band structure and the thermoelectric properties. In order to study the band shape dependence of the thermoelectric properties generally, we first adopt models with band…
It has long been noticed that special lattices contain single-electron flat bands (FB) without any dispersion. Since the kinetic energy of electrons is quenched in the FB, this highly degenerate energy level becomes an ideal platform to…
Dynamic shear banding under adiabatic conditions in a mesoscale polycrystalline aggregate is studied using a model of mesoscale dislocation mechanics and experiments. The model involves a length scale related to hardening induced by…
The multiband nature of iron-pnictide superconductors is one of the keys to the understanding of their intriguing behavior. The electronic and magnetic properties heavily rely on the multiband interactions between different electron and…
Conditioning of a metal structure in a high-voltage system is the progressive development of resistance to vacuum arcing over the operational life of the system. This is, for instance, seen during the initial operation of radio frequency…
Lithium ion batteries have been a central part of consumer electronics for decades. More recently, they have also become critical components in the quickly arising technological fields of electric mobility and intermittent renewable energy…
Spatially separated electron systems remain strongly coupled by electron-electron interactions even when they cannot exchange particles, provided that the layer separation d is comparable to a characteristic distance l between charge…
The purpose of this work was to calculate the electronic band structure of Cd$_{1-x}$Fe$_x$Se. Ab-initio, calculations are performed in the Atomistix Toolkit program within the Density Functional Theory and Local Spin Density Approximation…
Moir\'e superlattices of two-dimensional (2D) materials with a small twist angle are thought to exhibit appreciable flexoelectric effect, though unambiguous confirmation of their flexoelectricity is challenging due to artifacts associated…
In this research work, the 2D structure of the germanene layer is compounded with 2D group-III phosphides: AlP and GaP. The planar structure of AlP and low-buckled GaP have been taken to form the bilayer patterns. In each case, three…
We decompose the superfluid weight D_s of magic-angle twisted bilayer graphene (MATBG) into conventional (band-velocity) and geometric (interband-coherence) contributions using a band-basis current operator splitting applied to the…
In this paper, we propose a new electrical breakdown mechanism for exciton insulators in the BCS limit, which differs fundamentally from the Zener breakdown mechanism observed in traditional band insulators. Our new mechanism results from…
We present an ab-initio investigation of effects of shear strain on band structure and electronic properties of 2D phosphorene. We carried out DFT calculations to determine the shear stress as a function of shear strain and found the…
Dispersionless electronic bands lead to an extremely high density of states and suppressed kinetic energy, thereby increasing electronic correlations and instabilities that can shape emergent ordered states, such as excitonic,…
In the present work we calculate the tunneling density of states (DOS) of MgB% $_{2}$ for different tunneling directions by directly solving the two-band Eliashberg equations (EE) in the real-axis formulation. This procedure reveals the…
Theoretical investigation of structural, elastic, electronic and bonding properties of A-15 Nb-based intermetallic compounds Nb3B (B = Pt, Os) have been performed using first principles calculations based on the density functional theory…
Breakdowns may occur in high-voltage applications even in ultrahigh vacuum conditions. Previously, we showed that it is important to pay attention to the post-breakdown voltage recovery in order to limit the appearance of secondary…
Recent experiments have provided evidence that one-dimensional (1D) topological superconductivity can be realized experimentally by placing transition metal atoms that form a ferromagnetic chain on a superconducting substrate. We address…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
Asymmetry of conduction of electrons in the spin majority and minority bands of a ferromagnetic metal is well known to produce spin accumulation at the boundary with a normal metal when a current is injected through the interface. However,…