Related papers: Single-band tight-binding parameters for Fe-MgO-Fe…
In this letter we present a real space density functional theory (DFT) localized basis set semi-empirical pseudopotential (SEP) approach. The method is applied to iron and magnesium oxide, where bulk SEP and local spin density approximation…
The Landauer-Buettiker formalism combined with the tight-binding transfer matrix method is used to describe the results of recent experiments: the high tunneling magnetoresistance (TMR) in (Ga,Mn)As-based trilayers and highly polarized spin…
Crystallographic and spin polarized transport properties of (100) textured and (100) epitaxial Fe/MgO/Fe magnetic tunnel junctions are compared. Strong similarities in the transport properties show that structural coherence and magnetic…
Significant scientific and technological progress in the field of spintronics is based on trilayer magnetic tunnel junction devices which principally rely on the physics of single barrier tunneling. While technologically relevant devices…
We investigate the feasability of improving the semi-empirical density functional based tight-binding method (DFTB) through a general and transferable many-body repulsive potential for pure silicon using a common machine-learning framework.…
Hexagonal boron nitride ($\it h$-BN) exhibits dominant $\pi$-bands near the Fermi level, similar to graphene. However, unlike graphene, where tight-binding (TB) models accurately reproduce band edges near the $K$ and $K^{\prime}$ points in…
A novel, general Green's function technique for elastic spin-dependent transport calculations is presented, which (i) scales linearly with system size and (ii) allows straightforward application to general tight-binding Hamiltonians (spd in…
The ideas of the linear combination of atomic orbitals (LCAO) method, well known from the study of electrons, is extended to the classical wave case. The Mie resonances of the isolated scatterer in the classical wave case, are analogous to…
We study spin-dependent electronic transport across ferromagnet/superconductor ballistic junctions modeled using tight-binding Hamiltonians with s, p and d orbitals and material-specific parameters. We show that by accurately modeling the…
Quantum conductance calculations on the mechanically deformed monolayers of MoS$_2$ and WS$_2$ were performed using the non-equlibrium Green's functions method combined with the Landauer-B\"{u}ttiker approach for ballistic transport…
We have experimentally and theoretically investigated the spin transport in Fe/Mg/MgO/MgAl2O4/n+-Si(001) ferromagnetic tunnel junctions on a Si substrate, by systematically varying the thickness combination of amorphous MgO and MgAl2O4…
Monolayer transition metal dichalcogenides (TMDs) bare large Berry curvature hotspots readily exploitable for geometric band effects. Tailoring and enhancement of these features via strain is an active research direction. Here, we consider…
We propose the two-band s-d model to describe theoretically a diffuse regime of the spin-dependent electron transport in magnetic tunnel junctions (MTJ's) of the form F/O/F where F's are 3d transition metal ferromagnetic layers and O is the…
The electronic structure of Pb$_{1-x}$Sn$_{x}$Te is studied by using the relativistic Korringa-Kohn-Rostoker Green function method in the framework of density functional theory. For all concentrations $x$, Pb$_{1-x}$Sn$_{x}$Te is a direct…
We propose the use of resonant tunneling as a route to enhance the spin-transfer torque switching characteristics of magnetic tunnel junctions. The proposed device structure is a resonant tunneling magnetic tunnel junction based on a…
The 'Brillouin zone spin filtering' mechanism of enhanced tunneling magnetoresistance (TMR) is described for magnetic tunnel junctions (MTJ) and studied on an example of the MTJ with hcp Co electrodes and hexagonal BN (h-BN) spacer. Our…
For the newly discovered ironbased superconductors we propose a one band model for conduction band with first and secondnearestneighbor electron hoppings with two types of d wave and three types of s wave pairing symmetries for the…
We perform a combined experimental and theoretical study of tetramethyltetraselenafulvalene (TMTSF) single-crystal field-effect transistors, whose electrical characteristics exhibit clear signatures of the intrinsic transport properties of…
Density Functional Tight-Binding (DFTB), an approximative approach derived from Density Functional Theory (DFT), has the potential to pave the way for simulations of large periodic or non-periodic systems. We have specifically tailored DFTB…
We study the effect of image potential on spin polarized transport through Fe/MgO/Fe magnetic tunnel junctions in the presence of symmetry filtering. The image potential is included within the Simmon's model coupled with the non-equilibrium…