Lead (Pb) free non-toxic perovskite solar cells have become more important in the
commercialization of the photovoltaic devices. In this study the structural, electronic, optical …

In recent days, topological semimetals have become an active branch of materials research.
The topological Weyl semimetal CaSn 3, belonging to the AuCu 3 type cubic structure, is an …

Semiconducting lead (Pb) free organic-inorganic hybrid perovskites have become more
attractive for possible applications in solar cells and other optoelectronic devices. In this …

MAX phases are a large group of nanolaminated carbide and nitride materials of immense
scientific and technological interest. Materials of this class are known as metallic ceramics …

Binary carbides demonstrate an attractive set of physical properties that are suitable for
numerous and diverse applications. In the present study, we have explored the structural …

In the present study, the pseudopotential plane-wave (PP-PW) pathway in the scheme of
density functional theory (DFT) is utilized to investigate the various unexplored physical …

In this work we examine, via density functional theory (DFT), material properties of the
recently synthesized Lu-based MAX phase Lu 2 SnC and facilitate comparison with the Sn …

The inherent properties of MAX phases have made them candidate materials for various
technological applications. From this perspective, the present article reports the results of a …

NaSn 2 P 2 is a recently discovered superconducting system belonging to a particular class
of materials with van der Waals (vdW) structure. There is enormous interest in vdW …

The current study employs density functional theory to explore the physical properties of Ba
1− x Bi x Ti 1− x Mn x O 3 (x= 0, 0.3, and 0.4). A detailed analysis of structural, electronic …