First-principles calculations to investigate structural, optoelectronics and thermoelectric properties of lead free Cs2GeSnX6 (X= Cl, Br)

D Behera, SK Mukherjee - Materials Science and Engineering: B, 2023 - Elsevier
In the present investigation, we examined the structural, elastic, electronic, optical as well as
thermoelectric features of Cs 2 GeSnX 6 (X= Cl, Br) double perovskite compounds …

First-principle investigations on optoelectronics and thermoelectric properties of lead-free Rb2InSbX6 (X = Cl, Br) double perovskites: for renewable energy …

D Behera, B Mohammed, S Taieb, B Mokhtar… - The European Physical …, 2023 - Springer
In the current study, we analyzed the structural, mechanical, optoelectronics as well as
transport characteristics of double perovskite Rb2InSbX6 (X= Cl, Br) employing the FP …

Optical investigation and computational modelling of BaTiO3 for optoelectronic devices applications

MG Elmahgary, AM Mahran, M Ganoub… - Scientific Reports, 2023 - nature.com
ABX3 perovskite-based materials have attracted research attention in various electronic and
optoelectronic applications. The ability to tune the energy band gap through various dopants …

First-Principles Calculations of Novel Lead-Free X2GeSnI6 (X = Rb, Cs) Double Perovskite Compounds for Optoelectronic and Energy Exploitations

MA Ali, M Musa Saad H.-E, AM Tighezza… - Journal of Inorganic and …, 2024 - Springer
We investigate the structural, optoelectronic, and thermoelectric properties of halide double
perovskite X2GeSnI6 (X= Rb, Cs) compounds employing the full potential linearized …

Optoelectronics and Transport Phenomena in Rb2InBiX6 (X = Cl, Br) Compounds for Renewable Energy Applications: A DFT Insight

D Behera, SK Mukherjee - Chemistry, 2022 - mdpi.com
In this study, we used the FP-LAPW technique based on density functional theory applied in
WIEN2k code to examine the structural, electronic, elastic, and thermoelectric properties of …

Theoretical Investigation of the Lead-Free K2InBiX6 (X = Cl, Br) Double Perovskite Compounds Using Ab Initio Calculation

D Behera, SK Mukherjee - JETP Letters, 2022 - Springer
In this study, we employ the full potential linearized augmented plane wave technique based
on density functional theory applied in the WIEN2k code to examine the structural, elastic …

Importance of spin‐orbit coupling on photovoltaic properties of Pb‐free vacancy ordered double perovskites halides X2TeY6 (X = Cs, Rb, and Y = I, Br, Cl): First …

S Dahbi, N Tahiri, O El Bounagui… - … Journal of Energy …, 2022 - Wiley Online Library
In this paper, the crystal structures, thermodynamic stability, electronic densities of states,
band structures, and optical properties of the nontoxic Pb‐free vacancy ordered double …

A Comprehensive First-Principles Investigation of SnTiO3 Perovskite for Optoelectronic and Thermoelectric Applications

D Behera, M Manzoor, R Sharma, MM Salah, I Stich… - Crystals, 2023 - mdpi.com
In this work, the structural, elastic, electronic, thermodynamic, optical, and thermoelectric
properties of cubic phase SnTiO3 employing first-principles calculation are examined. The …

[HTML][HTML] Effect of aging on microstructural and optical properties of sol-gel dip coated BaTiO3 thin films

V Kaushik, V Kumar, D Kumar, R Kumar… - Applied Surface Science …, 2023 - Elsevier
This paper reports the effect of aging, thickness, and annealing temperature on
microstructural and optical properties of sol-gel dip-coated BaTiO 3 (BTO) thin films. The …

Enhanced Memristive Performance via a Vertically Heterointerface in Nanocomposite Thin Films for Artificial Synapses

G Wang, F Sun, S Zhou, Y Zhang, F Zhang… - … Applied Materials & …, 2024 - ACS Publications
Memristors can be used to mimic synaptic behavior in artificial neural networks, which
makes them a key component in neuromorphic computing and holds promise for advancing …