Optoelectronic properties of aluminum bismuth antimony ternary alloys for optical telecommunication applications: First principles calculation

M Benchehima, H Abid, A Sadoun… - Computational Materials …, 2018 - Elsevier
In this paper, optoelectronic properties of AlBi 1− x Sb x ternary alloys in zinc blende
structure, in complete range (0≤ x≤ 1), are theoretically evaluated from the full potential …

Photovoltaic functionality assessment of InPBi-based solar cells using a combination of density functional theory and finite element method analysis

N Jain, I Mal, S Singh, DP Samajdar - Solar Energy, 2025 - Elsevier
This work reports the theoretical investigation of the effect of incorporation of dilute Bismuth
(Bi) on the optical and electronic properties of zinc blende (ZB) phase Indium Phosphide …

Optoelectronic Characterization of Natural Dyes in the Quest for Enhanced Performance in Dye-Sensitized Solar Cells: A Density Functional Theory Study

P Gunawardhana, Y Balasooriya, MS Kandanapitiye… - Applied Sciences, 2023 - mdpi.com
This study employs density functional theory (DFT) to evaluate the optoelectronic features of
five natural dyes (cyanidin, delphinidin, pelargonidin, peonidin, and petunidin) in gas and …

Computational investigation on structural, elastic, and optoelectronic properties of low-cost perovskites CaSiX3 (X= S, Se, and Te): photovoltaic application

Z Bouguerra, H Bennacer, A Boukortt… - Computational …, 2024 - Elsevier
This paper employs the density functional theory to investigate the structural, elastic, and
optoelectronic properties of chalcogenide-based perovskite CaSiX 3 (X= S, Se, and Te) for …

DFT study of the structural and optoelectronic properties of Cd1− xAgxS half metallic alloys

M Gandouzi, AS Alshammari, ZR Khan… - Materials Science in …, 2021 - Elsevier
In this work, we report a theoretical investigation of the structural, electronic and optical
properties of Cd 1− x Ag x S alloys with a wurtzite structure. The calculations were performed …

The structural and elastic properties of InSb1-xBix alloys

P Saeidi, S Yalameha - Computational Condensed Matter, 2019 - Elsevier
Based on density functional theory, the structural and elastic properties of InSb 1-x Bi x
alloys have been studied using first principle calculations. The generalized gradient …

Density functional theory study of quaternary InPBiN alloys lattice matched to InP substrate: Structural, electronic and optical properties

R Alaya, K Kourchid, M Mbarki, A Rebey - Optik, 2022 - Elsevier
In this work, we would like to determine the physical properties of the quaternary InBi x P 1−
xy N y alloys lattice matched to InP substrate. Indeed, the matched InBi x P 1− xy N y/InP …

Experimental and DFT studies of structural and optoelectronic properties of CdS, Zn doped CdS, and (Zn-Ni) co-do** CdS nanomaterials

M Gandouzi, H Alshammary, ZR Khan… - Physica …, 2024 - iopscience.iop.org
This paper presents experimental and theoretical studies of binary semiconductor CdS, Zn:
CdS, and (Zn-Ni) co-doped CdS. Thin films of pure CdS, Cd 35 ZnS 36, and Cd 34 ZnNiS 36 …

DFT-Based Calculations of the Structural Stability, Electronic and Elastic Characteristics of BBi1-xSbx Ternary Ordered Alloys

A Boumaza, S Ghemid, H Meradji, O Nemiri… - Journal of Electronic …, 2021 - Springer
The structural, phase stability, elastic and electronic properties of Sb-doped BBi have been
systematically investigated in the zinc blende phase by means of the first-principle approach …

Alternate way of soliton solutions in hydrogen-bonded chain

E Parasuraman, L Kavitha - Waves in Random and Complex …, 2021 - Taylor & Francis
The transport of energy and charge along one-dimensional chains of hydrogen bonds is an
extremely important problem in bioenergetic and solid-state situations. We present an …