Vibrational Spectra and Electro‐Optic Effect of Ferroelectric LiNbO3 Crystal

R Li - physica status solidi (b), 2023 - Wiley Online Library
Though being vitally important in telecommunications and modern technology, the basic
optic and especially electro‐optic (EO) properties of ferroelectric LiNbO3 crystal (LN) studied …

Insights into structural, electronic, optical properties, and impedance spectroscopy of semi-doped perovskite Nd0. 5Ba0. 5CoO3: A theoretical and experimental study

K Souifi, G Raddaoui, M Nasri, J Khelif… - Physica B: Condensed …, 2024 - Elsevier
In this study, the electronic, structural, and optical properties of semi-doped perovskite Nd0.
5Ba0. 5CoO3 (NBCO) were investigate using the CASTEP software, which relies on density …

Dependence of structural, electrical, electronic and optical properties of lithium niobate on the types of pseudopotentials and exchange–correlation functionals: A DFT …

A Hbab, LA Lamine, S Amounas, H Chaib - Solid State Communications, 2025 - Elsevier
Within the framework of density functional theory, we used different types of exchange–
correlation functionals with the three existing types of pseudopotentials to study the …

Impact of Ag and Au concentration on the electronic and optical properties of LiNbO3: A DFT based calculation

JK Kar, R Rano, S Chaudhury - Materials Today: Proceedings, 2023 - Elsevier
The effect of silver (Ag) and gold (Au) doping at a concentration of 8.33% on the electronic
and optical properties of the LiNbO 3 crystal was theoretically analyzed using density …

Effect of La and Sc Doping on the Structural, Electronic, and Optical Properties of Cubic HfO2: A DFT-Based Spin-Polarized Calculation

JK Kar, R Rano, S Chaudhury - Journal of Electronic Materials, 2023 - Springer
The effect of lanthanum (La) and Scandium (Sc) doping on the structural, electronic, and
optical properties of cubic hafnium oxide (c-HfO2) has been thoroughly investigated using …

Optoelectronic Properties of Ag-Au Co-doped LiNbO3 Studied by First-Principles Generalized Gradient Approximation + U Approach

JK Kar, R Rano, S Chaudhury - 2023 7th International …, 2023 - ieeexplore.ieee.org
The electronic and optical properties of pure and Ag-Au co-doped lithium niobate crystals
are calculated by using density functional theory (DFT). The obtained results indicate that …

Insights into Structural, Electronic, Optical Properties, and Impedance Spectroscopy of Semi-Doped Perovskite Nd0. 5ba0. 5coo3: A Theoretical and Experimental …

ET Berdimurodov - … , Optical Properties, and Impedance Spectroscopy of … - papers.ssrn.com
This work's purpose is to investigate the electronic, structural, and optical characteristics of
Nd0. 5Ba0. 5CoO3 (NBCO) by the CASTEP software, which is based on density functional …