Enhancing the thermoelectric performance through an effective phonon scattering by point
defects has long been proven to be successful in many materials. This type of phonon …

It is known that phonon scattering by point defects is effective for reducing the lattice thermal
conductivity due to the mass and strain fluctuations between the host and guest atoms …

The structural, elastic, electronic and optical properties of ZnSnP2 were investigated using
first principles plane-wave pseudopotential method within local density approximation …

Ab initio calculation of the structural, mechanical, dynamic, thermodynamic, electronic, and
optical properties of cubic half-Heusler compound NaScSi have been reported using density …

First principles density functional theory (DFT) calculations for bulk structural, electronic and
optical properties of ternary compounds AgAlX 2 (X= S, Se, Te) were performed with two …

Abstract Two-dimensional (2D) semiconducting nanomaterials have generated much
interest both because of fundamental scientific interest and technological applications …

CuAlS 2 thin films were deposited by a dip coating technique at room temperature. The X-
ray energy dispersive (EDAX) and X-ray diffraction (XRD) analysis showed that the …

Aluminum‐based chalcopyrite materials have attracted attention because of the wide
controllability range of their material properties and potential for use in energy‐conversion …

Theoretical study of structural, elastic, electronic and thermodynamic properties of
neptunium chalcogenides NpX (X= S, Se, Te) in NaCl-B1 and CsCl-B2 phases are …

Abstract CZTS (Cu 2 ZnSnS 4), a P-type semiconductor with a direct bandgap (1.2–1.7 eV),
earth-abundant, non-toxic, and has a large absorption coefficient makes it extremely useful …