Comparative first principles investigation on the structural, optoelectronic and vibrational properties of strain-engineered graphene-like AlC, BCand CN monolayers.

Three cardinal two-dimensional semiconductors., AlC, BCand CN, closely resembling the graphene structure, are intriguing contenders for emerging optoelectronic and thermomechanical applications. Starting from a critical stability analysis, this density functional theory study delves into a quantitative assessment of structural, mechanical, electronic, optical, vibrational and thermodynamical properties of these monolayers as a function of biaxial strain(ε)in a sublinear regime(-2%⩽ε⩽4%)of elastic deformation.

Significant enhancement of lattice thermal conductivity of monolayer AlN under bi-axial strain: a first principles study.

Using rigorous calculations within the framework of phonon Boltzmann transport theory, we have carried out a detailed investigation to probe the effects of uniform bi-axial strain and finite size on the lattice thermal conductivity () of monolayer AlN. We show that implementation of bi-axial tensile strain can shoot up the value of of monolayer AlN by a large amount unlike in the case of analogous 2D materials. The value of for monolayer AlN is calculated to be 306.

Size-modulation of functionalized FeO: nanoscopic customization to devise resolute piezoelectric nanocomposites.

Magnetite (FeO), a representative relaxor multiferroic material, possesses fundamentally appealing multifaceted size-dependent properties. Herein, to evaluate a prototype spinel transition metal oxide (STMO), monodispersed and highly water-dispersible spherical magnetite nanoparticles (MNPs) with an enormous size range (3.7-242.

Negative capacitance switching in size-modulated FeO nanoparticles with spontaneous non-stoichiometry: confronting its generalized origin in non-ferroelectric materials.

Persistent low-frequency negative capacitance (NC) dispersion has been detected in half-metallic polycrystalline magnetite (Fe3O4) nanoparticles with varying sizes from 13 to 236 nm under the application of moderate dc bias. Using the Havriliak-Negami model, 3D Cole-Cole plots were employed to recapitulate the relaxation times (τ) of the associated oscillating dipoles, related shape parameters (α, β) and resistivity for the nanoparticles with different sizes. The universal Debye relaxation (UDR) theory requires a modification to address the shifted quasi-static NC-dispersion plane in materials showing both +ve and -ve capacitances about a transition/switching frequency (f0).