Related papers: Single-band tight-binding parameters for Fe-MgO-Fe…
We present an efficient numerical approach for treating ballistic quantum transport across devices described by tight binding (TB) Hamiltonians designated to systems with localized potential defects. The method is based on the wave function…
Unusual features in the bias dependence of spin transport are observed in a Co/Au/NiFe spin valve fabricated on a highly textured Cu(100)/Si(100) Schottky interface, exploiting the local probing capabilities of a Ballistic electron magnetic…
A novel approach to investigate the electron transport of cis- and trans-polyacetylene chains in the single-electron approximation is presented by using microwave emulation measurements and tight-binding calculations. In the emulation we…
Magneto-transport properties are investigated in a binary alloy ring subjected to an Aharonov-Bohm (AB) flux \phi within a single-band non-interacting tight-binding framework. In the first part, we expose analytically the behavior of…
It is critical to capture the effect due to strain and material interface for device level transistor modeling. We introduced a transferable sp3d5s* tight binding model with nearest neighbor interactions for arbitrarily strained group IV…
The synthesis of transition metal heterostructures is currently one of the most vivid fields in the design of novel functional materials. In this paper we propose a simple scheme to predict \emph{band alignment }and \emph{charge transfer}…
In this work we study thermoelectric properties of graphene nanoribbons with side-attached organic molecules. By adopting a single-band tight binding Hamiltonian and the Green's function formalism, we calculated the transmission and Seebeck…
We report on spin polarization reduction by incoherent tunneling in realistic single crystal Co2FeAl/MgO/Co50Fe50 magnetic tunnel junctions (MTJ) compared to reference Fe/MgO/Fe. A large density of misfit dislocations in the Heusler based…
Using a semiclassical Boltzmann transport equation (BTE) approach, we derive analytical expressions for electric and thermoelectric transport coefficients of graphene in the presence and absence of a magnetic field. Scattering due to…
An important consequence of the discovery of giant magnetoresistance in metallic magnetic multilayers is a broad interest in spin dependent effects in electronic transport through magnetic nanostructures. An example of such systems are…
Using an advanced tight-binding approach, we estimate the anisotropy of the tunnel transmission associated with the rotation of the 5/2 spin of a single Mn atom forming an acceptor state in GaAs and located near an AlGaAs tunnel barrier.…
Moir\'e superlattices have emerged as a versatile platform for exploring a wide range of ex- otic quantum phenomena. Unlike angstrom-scale materials, the moir\'e length-scale system contains a large number of atoms, and its electronic…
An empirical $s_cp^3_a$ tight-binding (TB) model is applied to the investigation of electronic states in semiconductor quantum dots. A basis set of three $p$-orbitals at the anions and one $s$-orbital at the cations is chosen. Matrix…
This paper presents a symmetric unified transport (UT) compact model for metal-oxide-semiconductor field-effect transistors (MOSFETs) that bridges drift-diffusion (DD) and ballistic transport (BT) regimes. The proposed model self…
Hexagonal boron nitride ($h$-BN), with its strong in-plane bonding and good lattice match to hcp and fcc metals, offers a promising alternative barrier material for magnetic tunnel junctions (MTJs). Here, we investigate spin-dependent…
A tight binding model for scanning tunneling microscopy images of a molecule adsorbed on a metal surface is described. The model is similar in spirit to that used to analyze conduction along molecular wires connecting two metal leads and…
The structural and electronic properties of zinc-blende (ZB) GaAs were calculated within the framework of plane wave density-functional theory (DFT) code JDFTx by using Becke 86 in 2D and PBE exchange correlation functionals from libXC. The…
In this work, we calculate with ab initio methods the current-voltage characteristics for ideal single- and double-barrier Fe/MgO (001) magnetic tunnel junctions. The current is calculated in the phase-coherent limit by using the recently…
A model of coherent tunneling, which combines multi-orbital tight-binding approximation with Landauer-B\"uttiker formalism, is developed and applied to all-semiconductor heterostructures containing (Ga,Mn)As ferromagnetic layers. A…
With nonequilibrium Green's function approach combined with density functional theory, we perform an ab initio calculation to investigate transport properties of graphene nanoribbon junctions self-consistently. Tight-binding approximation…