相关论文: Electronic Properties of Strained Si/Ge Core-Shell…

We have shown theoretically that a combination of cross-section modulation and acoustic mismatch in the core-shell Si/Ge nanowires can lead to a drastic reduction of the thermal conductivity. Our calculations, which utilized two different…

Electronic structures for InxGa1-xAs nanowires with [100], [110], and [111] orientations and critical dimensions of approximately 2 nm are treated within the framework of density functional theory. Explicit band structures are calculated…

Structural and magnetic properties of Fe@Pt core-shell nanostructure prepared by a sequential reduction process are reported. Transmission electron microscopy (TEM) shows nearly spherical particles fitting a lognormal size distribution with…

Strong, direct Rashba spin-orbit coupling in Si, Ge, and the Ge/Si core/shell nanowire quantum dot (QD) allows for all electrical manipulation of the hole spin qubit. Motivated by this fact, we analyze different fabrication-dependent…

Assembled metal/insulator nanoparticles with a core/shell geometry provide access to materials containing a large number (>106) of tunneling barriers. We demonstrate the production of ceramic coated metal nanoparticles exhibiting an…

We predict the existence of new two dimensional silicon carbide nanostructure employing ab initio density-functional theory calculations. These structures are composed of tetragonal and hexagonal rings with C-C and Si-C bonds arranged in a…

We demonstrate the full thermoelectric and structural characterization of individual bismuth-based (Bi-based) core/shell nanowires. The influence of strain on the temperature dependence of the electrical conductivity, the absolute Seebeck…

Sn-containing Si and Ge alloys belong to an emerging family of semiconductors with the potential to impact group IV semiconductor devices. Indeed, the ability to independently engineer both lattice parameter and band gap holds the premise…

We investigate the transport characteristics of Ge/Si-Core/Shell nanowire with Coulomb Blockade in presence of external magneto-electric fields from a theoretical basis. Using the effective Luttinger-Kohn Hamiltonian we calculate the…

Segmented magnetic nanowires are a promising route for the development of three dimensional data storage techniques. Such devices require a control of the coercive field and the coupling mechanisms between individual magnetic elements. In…

We predict that conduction electrons in a semiconductor film containing a centered square array of metal nanowires normal to its plane are bound in quantum states around the central wires, if a positive bias voltage is applied between the…

Group IV Ge1-xSnx semiconductors hold the premise of enabling broadband silicon-integrated infrared optoelectronics due to their tunable bandgap energy and directness. Herein, we exploit these attributes along with the enhanced lattice…

First principles density-functional theory calculations were performed to investigate quantum confinement and edge effects on the electronic properties of zigzag green phosphorene nanoribbons (ZGPNRs) with edge chemical species including H,…

Lead Selenide (PbSe) is an attractive `IV-VI' semiconductor material to design optical sensors, lasers and thermoelectric devices. Improved fabrication of PbSe nanowires (NWs) enables the utilization of low dimensional quantum effects. The…

We present a review of the phonon thermal conductivity of segmented nanowires focusing on theoretical results for Si and Si/Ge structures with the constant and periodically modulated cross-sections. We describe the use of the face-centered…

Bandstructure effects in the electronic transport of strongly quantized silicon nanowire field-effect-transistors (FET) in various transport orientations are examined. A 10-band sp3d5s* semi-empirical atomistic tight-binding model coupled…

Single layer core/shell structures consisting of graphene as core and hexagonal boron nitride as shell are studied using first-principles plane wave method within density functional theory. Electronic energy level structure is analysed as a…

The electronic structure of CdSe/CdS core/shell seeded nanorods of experimentally relevant size is studied using a combination of molecular dynamics and semiempirical pseudopotential techniques, with the aim to address the transition from…

General expressions for the electron- and hole-acoustical-phonon deformation potential Hamiltonian (H_{E-DP}) are derived for the case of Ge/Si and Si/Ge core/shell nanowire structures (NWs) with circular cross section. Based on the…

In this paper we present a detailed analysis of the atomic and electronic structure of GaAs nanowires using first-principles pseudopotential calculations. We consider six different types of nanowires with different diameters all grown along…