Pressure induced mechanical, elastic, and optoelectronic characteristics of CdZnSe alloy.

The change in composition and pressure, both of which lead to new desired properties by altering the structure, is particularly important for improving device performance. Given this, we focused here on the mechanical, elastic, and optoelectronic characteristics of the CdZnSe alloy using density functional theory at various pressures from 0 GPa to 20 GPa. It is found that the bulk modulus of the material rises with increasing pressure and exhibits mechanical stability as well as cubic symmetry.

Effects of the Hubbard potential on the NMR shielding and optoelectronic properties of BiMnVO compound.

This study explores the nuclear magnetic shielding, chemical shifts, and the optoelectronic properties of the BiMnVO compound using the full-potential linearized augmented plane wave method within the generalized gradient approximation by employing the Hubbard model (GGA + U). The Bi and V chemical shifts and bandgap values of the BiMnVO compound in a triclinic crystal structure are found to be directly related to Hubbard potential. The relationship between the isotropic nuclear magnetic shielding σ and chemical shift δ is obtained with a slope of 1.

Correction: Unveiling concentration effects on the structural and optoelectronic characteristics of Zn Cd S ( = 0, 0.25, 0.50, 0.75, 1) cubic semiconductors: a theoretical study.

[This corrects the article DOI: 10.1039/D2RA03850A.].

Unveiling concentration effects on the structural and optoelectronic characteristics of Zn Cd S ( = 0, 0.25, 0.50, 0.75, 1) cubic semiconductors: a theoretical study.

The structural and optoelectronic characteristics of Zn Cd S ( = 0, 0.25, 0.50, 0.