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 function of the size of both core and shell. It is found that the confinement of electrons in two dimensional graphene quantum dot is reduced by the presence of boron nitride shell. The energy gap is determined by the graphene states. Comparison of round, hexagonal, rectangular and triangular core/shell structures reveals that their electronic and magnetic states are strongly affected by their geometrical shapes. The energy level structure, energy gap and magnetic states can be modified by external charging. The core part acts as a two-dimensional quantum dot for both electrons and holes. The capacity of extra electron intake of these quantum dots is shown to be limited by the Coulomb blockade in two-dimension.
The recent advances in nanowire (NW) growth technology have made possible the growth of more complex structures such as core-multi-shell (CMS) NWs. We propose the approach for calculation of electron subbands in cylindrical CMS NWs within the simple effective mass approximation. Numerical results are presented for ${\rm GaAs/Al_{0.3}Ga_{0.7}As}$ radial heterostructure with AlGaAs-core and 4 alternate GaAs and AlGaAs shells. The influence of an effective mass difference in heterolayers is discussed.
Tunnel Magnetoresistance in Self-Assemblies of Exchange Coupled Core/Shell Nanoparticles
报道了自组装核壳结构Fe $_3$ O $_4$ /Co $_{1-x}$ Zn $_x$ Fe $_2$ O $_4$纳米粒子（$0\leq x\leq 1$）器件中隧道磁电阻（TMR）的精确控制.通过壳层中Co $^{2+}$的含量来调节磁各向异性，提供了一种精确的工具来控制TMR的双态之间的切换场。以这种方式，可以设想软/硬和硬/软核/壳配置的不同组合，用于优化具有所需磁输运响应的器件。
Unveiling the local elemental arrangements across the interfaces inside CdSe/Cd1-xZnxS core-shell and CdSe/CdS/ Cd1-xZnxS core-crown-shell quantum wells
Using the Landau-Ginzburg-Devonshire approach, we study screening-induced phase transitions in core-shell ferroic nanoparticles for three different shapes: an oblate disk, a sphere, and a prolate needle. The nanoparticle is made of a ferroic CuInP2S6 core and covered by a "tunable" screening shell made of a phase-change material with a conductivity that varies as the material changes between semiconductor and metallic phases. We reveal a critical influence of the shell screening length on the phase transitions and spontaneous polarization of the nanoparticle core. Since the tunable screening s…
Quantum wells in InAs/GaSb heterostructures can be tuned to a topological regime associated with the quantum spin Hall effect, which arises due to an inverted band gap and hybridized electron and hole states. Here, we investigate electron-hole hybridization and the fate of the quantum spin Hall effect in a quasi one-dimensional geometry, realized in a core-shell-shell nanowire with an insulator core and InAs and GaSb shells. We calculate the band structure for an infinitely long nanowire using $\mathbf{k \cdot p}$ theory within the Kane model and the envelope function approximation, then map t…
Improved passivation strategies to address the more complex surface structure of large-diameter nanocrystals are critical to the advancement of infrared photodetectors based on colloidal PbS. In this contribution, the performance of short-wave infrared (SWIR) photodiodes fabricated with PbS/PbCl$_x$ (core/shell) nanocrystals versus their PbS-only (core) counterparts are directly compared. Despite their inherently similar bulk properties, devices using PbS cores suffer from shunting and inefficient charge extraction, while core/shell-based devices exhibit greater external quantum efficiencies a…
Within the framework of the Landau-Ginzburg-Devonshire approach we explore the impact of elastic anisotropy, electrostriction, flexoelectric couplings, and mismatch strain on the domain structure morphology in ferroelectric core-shell nanoparticles of spherical shape. We perform finite element modelling (FEM) for multiaxial ferroelectric nanoparticle cores covered with an elastically-isotropic soft or elastically-anisotropic rigid paraelectric shell, with and without mismatch strains. In the case of a core covered with a soft shell, the FEM results show that at room temperature a single polari…
In this work we investigate novel spherical core-shell nanoparticles with band inversion. The core and the embedding medium are normal semiconductors while the shell material is assumed to be a topological insulator. The envelope functions are found to satisfy a Dirac-like equation that can be solved in a closed form. The core-shell nanoparticle supports midgap bound states located at both interfaces due to band inversion. These states are robust since they are topologically protected. The energy spectrum presents mirror symmetry due to the chiral symmetry of the Dirac-like Hamiltonian. As a m…
Gold-Silver (Au-Ag) core-shell nanostructures are gaining importance in stretchable electronics where high tensile and fatigue resistance is of paramount importance. This work proposes the parameterization of a modified embedded atomic model (MEAM) interatomic potential through density functional theory (DFT) calculations for investigating the role of dislocations and defect interaction governing the mechanical behavior of Au-Ag and Ag-Au Core-shell nanostructures under tensile and fatigue loading using molecular dynamics (MD) simulations. A comparative analysis between the Core-shell structur…
Using the extended discrete interaction model we investigate the tuneabilty of surface plasmon resonance in alloys and core-shell nanoparticles made from silver and gold. We show that the surface plasmon resonance of these alloys and core-shell particles to a large extent follow Vegard's law irrespective of the geometry of the nanoparticle. We show the evolution of the polarizability with size and demonstrate the highly non-linear behaviour of the polarizability with the ratio of the constituents and geometry in alloys and core-shell nanoparticles, with the exception for nanorod alloys. A thor…
