Based on first-principles calculations, we have studied the structural, electronic and optical
properties of Be, Ca, Ba, and Eu doped β-Si 3 N 4 systems. Firstly, after performing the …

In this study, the electronic and the optical properties of monolayer black phosphorus (BP)
doped with Gold (Au), Tin (Sn) and Iodine (I) atoms have been investigated by the density …

The status of oxygen impurity in β-Si 3 N 4 lattice and its impact on β-Si 3 N 4 phonon
spectrum were studied using the first principle calculation based on density functional …

In this paper, we have calculated the optical properties of the different polytypes of GaSe
lamellar materials. The calculations are based on the DFT method and is performed using …

We report first-principle calculations of the structural, electronic and optical properties of β-
GaSe under substitutional doping of arsenic with selenium within density functional theory …

In this work, a structural–functional integrated SiCw/Si3N4 composite with high mechanical
and microwave (MW) absorption properties was prepared by hot pressing at 1800° C. By …

The structures, mechanical properties and electronic structures of M metals (M= Ti, V, Cr, Mn
and Fe) doped β-Si3N4 were investigated by First-principles calculations within CASTEP …

In this study, effects of some impurity atoms included in IIIA group such as Al, Ga, and In on
the optical properties of the β-Si 3 N 4 structure have been discussed. The calculations were …

There are two common phases of silicon nitride, low temperature phase α and high
temperature phase β. It is irreversibly transformed into β phase in a single direction when α …