In this paper, the first‐principles calculations based on the Density Functional Theory (DFT)
have been used to study the effect of strain on the structural, electronic, optical and …

In this study, first-principles calculations were used to study the structural, electronic and
optical properties of a novel stable Janus BiSbC 3 monolayer under varied biaxial strain …

Using first-principles calculations in the framework of density functional theory (DFT), we
systematically carry out the dynamic stability, electronic and optical properties of the Janus …

The electronic structure, optical and thermoelectric properties of Janus T-phase SiSeS
monolayer under biaxial strain have been analyzed using the first-principles calculations …

In this present work, comprehensive investigations of the electronic structure, thermoelectric
and optical properties of the Janus In 2 STe monolayer have been performed using density …

Motivated by the exceptional optoelectronic properties of 2D Janus layers (JLs), we explore
the properties of group Va antimony-based JLs SbXY (X= Se/Te and Y= I/Br). Using Bader …

Using the spin-polarized DFT calculations combined with the non-equilibrium Green
functional (NEGF) method, the geometric, electronic, magnetic, and electronic spin transport …

In this paper, we have investigated the electronic, optical and thermoelectric properties of
the puckered Si 2 SeTe monolayer when subjected to various levels of biaxial strain ranging …

In this paper, by using the computational codes, based on density functional theory, the
stability and structural properties of a new two-dimensional nanostructure called B2C as an …

The discovery of ferromagnetic two-dimensional (2D) materials provides reference value for
the exploration of low-dimensional magnetism and new spintronic devices. The VSi2N4 …