相关论文: Single and multiple doping effects on electron tra…

Motivated by recent experiments on nonlocal transport through multiterminal superconducting hybrid structures, we present self-consistent calculations based on quasiclassical Green's functions for the order parameter, currents and voltages…

Efficiency of ZnO doping with Ag and N shallow acceptors, which substitute respectively cations and anions, was investigated. First principles calculations indicate a strong tendency towards formation of nearest neighbor Ag-N pairs and…

We have studied the topological properties of free standing Sn doped cadmium chalcogenide (CdSnX, X = S, Se and Te) nanoribbons of varying widths and three types of edges viz., distorted armchair, normal armchair and normal zigzag edges.…

\textit{DX} behavior limits $n$-type carrier concentrations in ultrawide-bandgap nitrides such as aluminum nitride (AlN) and cubic boron nitride ($c$-BN). Instead of acting as effective-mass donors, \textit{DX} centers capture two…

We use neutron scattering to study magnetic order and spin excitations in BaFe$_{1.96}$Ni$_{0.04}$As$_{2}$. On cooling, the system first changes the lattice symmetry from tetragonal to orthoromhbic near $\sim$97 K, and then orders…

Two-dimensional (2D) metal-diboride ZrB2 monolayers was predicted theoretically as a stable new electronic material [A. Lopez-Bezanilla, Phys. Rev. Mater., 2018, 2, 011002 (R)]. Here, we investigate its electronic transport properties along…

We study a single electron transistor (SET) based upon a II-VI semiconductor quantum dot doped with a single Mn ion. We present evidence that this system behaves like a quantum nanomagnet whose total spin and magnetic anisotropy depend…

Using first-principles Density Functional Theory calculations, we showed that electronic and magnetic properties of bare and Ti adatom adsorbed single-layer silicene and germanene, which are charged or exerted by a perpendicular electric…

We study the charge and spin transport in a two terminal graphene nanoribbon (GNR) decorated with random Gold (Au) adatoms using a Kane-Mele model. Two commonly used GNRs, that is, the armchair graphene nanoribbon (AGNR) and the zigzag…

Understanding the interaction between plasmonic nanoparticles and transparent conductive oxides is instrumental to the development of next-generation photovoltaic, opto-electronic and energy-efficient solid-state lighting devices. We…

Mobius graphene nanoribbons have only one edge topologically. How the magnetic structures, previously associated with the two edges of zigzag-edged flat nanoribbons or cyclic nanorings, would change for their Mobius counterparts is an…

Weyl semimetals combine topological and semimetallic effects, making them candidates for interesting and effective thermoelectric transport properties. Here, we present experimental results on polycrystalline NbP, demonstrating the…

We investigate the spin-resolved transport in a two-terminal zigzag graphene nanoribbon device with two independent gate induced Rashba spin-orbit coupling regions and in the presence of strain. By employing a recursive Green's function…

We investigate the spin transport properties of molecules belonging to the acenes series by using density functional theory combined with the non-equilibrium Green's function approach to electronic transport. While short acenes are found to…

Coherent electronic transport through a molecular device is studied using non-equilibrium Green's function (NEGF) formalism. Such device is made of a carbon nanowire which is connected to ferromagnetic electrodes. The molecule itself is…

Effects of relative orientation of the molecules on electron transport in molecular devices are studied by non-equilibrium Green's function method based on density functional theory. In particular, two molecular devices, with the planer…

We present a first-principles study of the migration and recombination of edge defects (carbon adatom and/or vacancy) and their influence on electrical conductance in zigzag graphene nanoribbons (ZGNRs). It is found that at room…

In this paper, we have analysed the electronic and mechanical properties of Nitrogen(N) doped (6,1) SWCNTs based on first-principles and Molecular dynamic (MD) simulation. A schematic N-doping on SWCNT was performed along zigzag(zz) and…

We study the charge and spin transport in two and four terminal graphene nanoribbons (GNR) decorated with random distribution of magnetic adatoms. The inclusion of the magnetic adatoms generates only the $z$-component of the spin polarized…

Although the unconventional $\pi$-magnetism at the zigzag edges of graphene holds promise for a wide array of applications, whether and to what degree it plays a role in their chemistry remains poorly understood. Here, we investigate the…