The stability, electronic, optical and thermodynamic properties of X 3 OI (X= Na, K, Rb) have
been calculated by first principles. The Birch-Murnaghan method was used to fit the optimal …

The tunability and stability of halide perovskites have made them promising for a large
number of applications. In this study, the optoelectronic and thermoelectric properties of …

The clean and green energy is a merging technology of advanced era to achieve the
demands of energy requirements. For this purpose, the double perovskites Rb 2 AgAlZ 6 (Z …

In this study, novel lead-free double perovskites CsInSbAgX 6 (X= Cl, Br and I) are proposed
and theoretically investigated for the first time for their potential application in optoelectronic …

By using the full potential linearized augmented plane wave (FP-LAPW) method, the
electronic properties of the layered BaAgChF (Ch= S, Se, Te) were investigated. Both the …

The structural, mechanical, electrical, optical, and thermoelectric characteristics of double
perovskites crystal structure with# 225 Fm3m space were studied using the Full Potential …

The optical, magnetism and electronic characteristics of 16 types of transition metals
adsorbed puckered arsenene (TM-arsenene) were investigated by the first principles …

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 elastic and thermodynamic properties of novel high entropy carbide (HfTaZrTi) C and
(HfTaZrNb) C are studied within density functional theory framework, adopting special quasi …

The optical properties of ZnGa 2 Se 4 single crystals obtained by gas transport reaction have
been systematically explored using ellipsometry measurements and first-principles …