Showing papers in "Solid State Communications in 2017"

TL;DR: In this article, the effect of the spin-phonon coupling on the structural, vibrational and magnetic properties of two orthoferrites, LaFe3 and YFeO3, has been investigated.

TL;DR: In this paper, structural, electronic and optical properties of 5 new 2D boron nitride (BN) allotropes have been studied using first principles calculations, and the dielectric tensor is derived within the random phase approximation (RPA).

TL;DR: In this article, a two-dimensional electron gas placed next to an array of magnetic tunnel junctions (MTJ) is used to create tunable magnetic textures for manipulating Majorana bounds states (MBS).

TL;DR: In this article, the magnetic properties and magnetocaloric effect of the La0.67Ba0.22Sr0.11MnO3 compound were studied by means experiment, mean field theory and Monte Carlo simulations (MCSs).

TL;DR: In this paper, the electronic properties, particularly band gap and band ordering of CsPbII 3 perovskite in cubic phase, have been investigated by means of spin-orbit coupling and hydrostatic pressure.

TL;DR: In this paper, the role of flake dimensionality on the lithiation/de-lithiation processes and electrochemical performance of anodes based on few-(FLG) and multi-layer graphene (MLG) flakes prepared by liquid phase exfoliation (LPE) of pristine graphite.

TL;DR: In this article, the authors investigated the bandstructure of MoS 2 /WS 2 van der waals heterostructures by applying external electric field perpendicular to the layers and showed that the external electric fields can significantly tune the band offsets almost linearly and modify the band alignment between MoS and WS 2.

TL;DR: In this paper, density functional theory calculations of antimonene/graphene van der Waals (vdW) heterostructures with an external electric field (E ext ) are investigated.

TL;DR: In this paper, a high energy asymmetric supercapacitor (ASC) was constructed using porous manganese oxide (MnO 2 ) nanostructures as positive electrode and reduced graphene oxide (RGO) as negative electrode in 1M Na 2 SO 4 electrolyte.

TL;DR: In this paper, the hysteretic properties of a Ising-type endohedral fullerene (EF) with a doped magnetic spin-1/2 particle confined within a spherical cage (by diluted magnetic spin 1 particles) are investigated by using the effective field theory with correlations.

TL;DR: In this article, the phase structures, morphologies and optical absorption properties of TiO2/BiOI p-n heterojunction were characterized using X-ray diffraction, scanning electron microscopy, UV-vis diffuse reflectance spectra and X-Ray Photoelectron spectroscopy.

TL;DR: In this article, two 2D single-layer GaN crystal structures, called H-GaN and T−GaN, are discovered by the density functional theory calculations, and phase stability is confirmed by phonon dispersions.

TL;DR: In this article, the defect compensation mechanism was proposed based on Mn 4+ ion substitution, which gave rise to smaller domain size and higher piezoelectric properties of the Mn-doped KNN single crystal.

TL;DR: In this article, the crystal structure, phase stability, mechanical and thermodynamic properties of the Al2Cu (θ, θ′ and Ω) phases are studied by the first-principles method.

TL;DR: In this article, the structural parameters, band structures, elastic, dielectric and optical properties of TiSiO 4 in orthorhombic CrVO 4 -type (Cmcm ), tetragonal zircon-type (I 4 1 / amd ) and scheelite-type( I 4 1/a ) phases were computed using first-principles calculations.

TL;DR: In this article, the effects of external static electric field in the presence of strain on EHC and magnetic susceptibility of a two-dimensional material ferromagnetic graphene's silicon analog, silicene, are investigated by the strain-induced and the applied electric field within the Green's function technique and the Kane-Mele Hamiltonian.

TL;DR: In this paper, the magnetoreflection effect in CoFe 2 O 4 was shown to be up to 4% in a relatively small magnetic field and the influence of a magnetic field on specular reflection is likely to be indirect: application of magnetic field results in strong strains and deformations of the crystal lattice, which lead to the change in electron energy structure and hence reflection spectrum.

TL;DR: In this article, the electronic properties of the GNS are investigated with and without various concentrations of phosphorus impurities in the various sites by using the first-principles of the density functional theory (DFT) method, which realized in Quantum Espresso packages.

TL;DR: In this paper, a large room-temperature rotating magnetocaloric effect (MCE) in a magnetic-field-aligned NdCo4Al polycrystalline alloy was reported.

TL;DR: In this article, the authors discuss the implications of the transient nature of negative capacitance for its practical application and suggest that the NC effect needs to be characterized at the proper time scale to identify the type of circuits where functional NC-FETs can be used effectively.

TL;DR: In this paper, the structural, electronic and elastic properties of Cs 2 CrGe were examined using FP-LAPW method based on density functional theory, and the results of the calculations predict that the Hg 2 CuTi-type structure is more stable than the Cu 2 MnAl type structure and that the ground state of this alloy is ferromagnetic.

TL;DR: In-situ Raman and UV-vis spectroscopies have been carried out from viologen based electrochromic device fabricated in two simple geometries as mentioned in this paper.

TL;DR: In this paper, first principles calculation is used to investigate the thermodynamic stability of hydrogen at Cu/W interfaces and the effects of hydrogen on cohesion properties of Cu/w interfaces, and it is revealed that the solution energies of H atom at the W lattice are more positive than those of H at the CU/W interface and Cu lattice.

TL;DR: In this article, the single-layer atomic sheet of magnesium fluoride (MgF 2 ) having 1H and 1T phase structure (hexagonal and tetragonal phase) has been calculated by density functional theory (DFT).

TL;DR: In this article, the authors theoretically explore the control of the wave-vector filtering (WVF) effect in a realistic magnetic-barrier nanostructure with a δ -doping, which can be experimentally realized by depositing a ferromagnetic stripe on the top of a GaAs / Al x Ga 1 − x As heterostructure.

TL;DR: Amorphous Gd 0.67 × 0.3 (X=Y, Zr) films were grown by RF sputtering and their magnetic and magnetocaloric properties were studied as discussed by the authors.

TL;DR: In this paper, the authors studied the effect of the thickness of the magnetic layer on the bilayer transitions of a spin-5/2 Blume-Capel model formed by two magnetic blocs separated by a non-magnetic spacer of finite thickness.

TL;DR: In this paper, density functional theory (DFT) using MPW1PW91 and B3LYP hybrid functionals was utilized for quantum-based investigations of three major sulfur compounds (H2S, SO2, and SO3) adsorption onto fullerene-like Ga12N12 nanocluster.

TL;DR: In this paper, the authors studied the plasmon spectra of a hybrid structure consisting of conventional two-dimensional electron gas (2DEG) in a semiconductor quantum well and a graphene sheet with an interlayer separation.