In this study, we have investigated a range of structural, elastic, electronic, optical, and
thermoelectric properties of halide double perovskites Cs2BʹGeCl6 (Bʹ: Zn, Cd). Our …

Coded within Wien2K, we carry out DFT-based calculations for investigations of the
structural, elastic, optoelectronic, and thermoelectric properties of BaXF3 (X= Co, Ir) fluoro …

We use WIEN2K to conduct density functional theory computations to explore the structural,
thermodynamic, optoelectronic, and mechanical properties of fluoroperovskites QMnF3 (Q …

CdTe is a potential material for making efficient and stable solar cells. The present study
aimed to systematically investigate the electronic, optical, and thermoelectric properties of …

Using the density functional theory (DFT) method, we investigate the properties of LaXSi (X=
Pt, Pd) half-Heusler compounds. To ensure the stability of both compounds, we employed …

In the current study, we investigated the structural, electronic, optical, and thermoelectric
properties of three chalcopyrite materials AlCuX2 (X= S, Se, and Te) employing the full …

In the present work, an in-depth study was conducted on the structural, optoelectronic, and
thermoelectric nature of novel ternary-type NaLiX (X= S, Se, Te) chalcogenides. The WC …

The efficient physical properties of alkali-based ternary chalcogenides are investigated in
the orthorhombic structure employing the full potential linearized-augmented-plane-wave …

Here in this work, we reported results about the electronic, optical and thermoelectric
properties of ternary Al 2 CdX 4 (X= S, Se and Te) chalcogenides by the first principles …

The structural, electronic, optical, and thermoelectric natures of potassium-based ternary
KAuY (Y= S, Se, and Te) materials are studied by employing density functional theory …