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Toplam kayıt 3, listelenen: 1-3
A first-principles investigation on the structural, electronic and optical characteristics of tetragonal compounds XAgO (X = Li, Na, K, Rb)
(Elsevier B.V., 2024)
First-principles calculations employing the density functional theory full-potential (linearized) augmented plane-wave plus local orbitals (FP-(L)/APW + lo) method were conducted to investigate the structural, electronic ...
Exploring the Optoelectronic Potential of M2SnX3F2 (M = Sr, Ba; X = S, Se) Compounds Through First-Principles Analysis of Structural, Electronic, and Optical Properties
(Springer Science and Business Media Deutschland GmbH, 2023)
In this study, the equilibrium ground-state, electronic structure, and optical properties of four chalcofluorides, M2SnX3F2 (M = Sr, Ba and X = S, Se) compounds have been reported using the density functional theory (DFT) ...
Ab initio predictions of the structural, electronic, optical, elastic, and thermoelectric properties of quasi-two-dimensional BaFZnP
(Elsevier, 2023)
We studied the structural parameters, elasticity, electronic structure, linear optical spectra, and thermoelectric coefficients of quasi-two-dimensional BaFZnP using ab initio methods. The computed equilibrium coordinates ...