Publications by authors named "F Amiri-Shookoh"

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.

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The full-potential linearized augmented plane wave (FP-LAPW) method was used for the calculation of the structural, nuclear magnetic resonance (NMR), optoelectronic, and thermoelectric properties of AgMCHN (M = Cl, Br, and I) compounds. The calculated wide band gap of AgMCHN (M = Cl, Br, and I) metal organic molecules with the density of states approach were 3.32, 3.

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