Elucidating the Structural, Electronic, Elastic, and Optical Properties of Bulk and Monolayer MoS2 Transition-Metal Dichalcogenides: A DFT Approach

SA Yamusa, A Shaari, NAM Alsaif, IM Alsalamah… - ACS …, 2022 - ACS Publications
Due to their outstanding properties for optoelectronic and versatile electronic applications,
the atomically thin layers of transition-metal dichalcogenide (TMDC) materials have …

High power passively mode-locked laser with Sb2Te3 deposited tapered fiber in Er/Yb doped fiber laser

H Ahmad, NH Mansor, SA Reduan, MZ Samion… - Optical Fiber …, 2022 - Elsevier
Abstract Antimony telluride (Sb 2 Te 3), one of the materials from the topological insulator
(TI) family, was studied as a saturable absorber (SA) for producing high-power ultrafast …

[PDF][PDF] Structural stability, electronic and optical properties of bulk MoS2 transition metal dichalcogenides: A DFT approach

SA Yamusa, A Shaari, I Isah - J. Appl. Phys, 2022 - researchgate.net
This paper investigates the structural stability, electronic, and optical properties of MoS2 in
hexagonal and trigonal phases using the first-principles method, the results show that the …

The investigation of optoelectronic properties of doped and co-doped Tm3+ and Tb3+ Bi4Ge3O12 scintillation crystal: New insights from the first principle study

MA Abbass, MT Khan, A Kalsoom, M Khalid… - Journal of Solid State …, 2024 - Elsevier
In this article, the structural, electronic, and optical characteristics of Germanium Bismuthate
Ge 3 Bi 4 O 12 doped and co-doped Tm and Tb have been studied through ab initio …

Generation of high-power Q-switched pulses based on arc-shaped fiber and tapered fiber with Sb2Te3 in erbium/ytterbium doped fiber laser

H Ahmad, NH Mansor, MUM Ithnahaini… - Infrared Physics & …, 2023 - Elsevier
This study illustrates the capability of antimony telluride (Sb 2 Te 3) utilized as a saturable
absorber (SA) for generating high-power Q-switching in the 1.5-µm region. First, the …

Optical and thermoelectric properties of Sb2Te3/ZnTe nanostructured composites

KDA Kumar, DK Meena, RSC Bose, R Meena… - Journal of Alloys and …, 2021 - Elsevier
The decoupling of electrical and thermal transport routes is a positive way to increase the
efficiency of thermoelectric (TE) materials. The synthesis of semiconductor nanostructure …

[HTML][HTML] Comparative study of homoepitaxial Au (111) and Ag (111) layers: Insights from DFT simulations

Q Rafiq, MH Al Nasir, MI Shahzad, MT Khan… - International Journal of …, 2024 - Elsevier
Abstract Density Functional Theory (DFT) was employed for the first time in the investigation
of Single-layer Nano islands on Ag (111) and Au (111) substrates. This study entailed …

Significant improvement in structural, electronic, optical and thermoelectric properties of PdTe2 in bulk and monolayer phase: A G0W0+ BSE approach

ID Yusuf, AB Suleiman, A Lawal, CE Ndikilar… - Physica B: Condensed …, 2024 - Elsevier
Using first principles calculations structural, electronic, thermoelectric and optical properties
of PdTe 2 in bulk and monolayer were investigated. The calculated lattice parameters with …

DFT+ U studies of structure and optoelectronic properties of Fe2SiO4 spinel

MC Idris, A Shaari, R Razali, A Lawal… - Computational …, 2020 - Elsevier
Spinel oxides have been predicted as one of the potential materials in the transparent
conducting oxides community. A detailed first-principles pseudopotential investigation was …

Ab initio calculation of CuSbSe2 in bulk and monolayer for solar cell and infrared optoelectronic applications

B Idris, A Lawal, D Abubakar… - … in Physical Sciences, 2021 - journalcps.com
The production of efficient, less toxic and low-cost solar cell devices is still faced with
numerous challenges. However, copper antimony selenide (CuSbSe2) appears to be the …