Electronic and optical properties of ternary kagome Rb2Ni3S4: A density functional study DOI
Gang Bahadur Acharya, Se‐Hun Kim, Madhav Prasad Ghimire

и другие.

Modelling and Simulation in Materials Science and Engineering, Год журнала: 2024, Номер 32(6), С. 065012 - 065012

Опубликована: Июнь 6, 2024

Abstract The application of semiconductors with optical properties has grown significantly in the development semiconductor photovoltaics. Here, we explore electronic and ternary transition metal sulfide Rb 2 Ni 3 S 4 by means density functional theory. From structural perspective, atoms are found to form a kagome-like lattice two-dimensional plane . our calculations, is be an indirect band gap ∼0.67 eV. Strong hybridization was observed between S-3 p Ni-3 d xz yz orbitals. Interestingly, flat noticed below Fermi level demonstrating one significant feature kagome lattice. exhibit activity both visible lower ultraviolet regions incident photon energies. response suggests this material may potential candidate for opto-electronic device, given its ability interact light across broad range wavelengths. This work expected motivate experimental group transport measurements provide new foundation optics.

Язык: Английский

First-principles calculations to investigate electronic, optical, mechanical and thermoelectric properties of lead-free halide double perovskites Na2InBiX6 (X = cl, Br and I) for optoelectronic and thermoelectric applications DOI
S. Yasin, Adnan Ali, Mohd. Muddassir

и другие.

Computational and Theoretical Chemistry, Год журнала: 2025, Номер unknown, С. 115107 - 115107

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

2

A DFT investigation of the Electronic, Elastic, Thermodynamic, and Optical Properties of the CeH9 Superhydride: A Promising High-Tc Superconductor DOI
A. Bouhmouche, I. Rhrissi, Sonya Bahar

и другие.

Materials Chemistry and Physics, Год журнала: 2025, Номер unknown, С. 130395 - 130395

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

1

Electronic, phonon, mechanical, and optical properties of the XAlH5 (X= Be, Sr, and Ca) hydrides with high hydrogen storage capacity DOI
I. Rhrissi, A. Bouhmouche, R. Moubah

и другие.

International Journal of Hydrogen Energy, Год журнала: 2025, Номер 117, С. 146 - 157

Опубликована: Март 15, 2025

Язык: Английский

Процитировано

0

Pressure-induced semiconductor to metal transition and its impact on the electronic, optical, and thermodynamic properties of the new Kitaev spin liquid candidate CoI2 DOI
A. Bouhmouche, I. Rhrissi, R. Moubah

и другие.

Materials Chemistry and Physics, Год журнала: 2024, Номер 322, С. 129539 - 129539

Опубликована: Июнь 2, 2024

Язык: Английский

Процитировано

3

Ab initio calculations of the electronic and thermodynamic properties of the lead-free Cs2AgGaBr6 double perovskite DOI
A. Bouhmouche, I. Rhrissi,

A. Jabar

и другие.

Euro-Mediterranean Journal for Environmental Integration, Год журнала: 2025, Номер unknown

Опубликована: Фев. 17, 2025

Язык: Английский

Процитировано

0

Pressure effects on the electronic, optical, and thermodynamic properties in van der waals multiferroic NiI2 DOI
A. Bouhmouche, R. Moubah, S. Elkhouad

и другие.

Materials Science in Semiconductor Processing, Год журнала: 2025, Номер 193, С. 109515 - 109515

Опубликована: Март 31, 2025

Язык: Английский

Процитировано

0

Ab-initio study of the influence of pressure on the electronic, optical and thermodynamic properties of SrGd2O4 spinel DOI
F.Z. Rachid, A. Bouhmouche, R. Moubah

и другие.

Materials Science in Semiconductor Processing, Год журнала: 2025, Номер 194, С. 109585 - 109585

Опубликована: Апрель 18, 2025

Язык: Английский

Процитировано

0

Influence of heat treatment on microwave dielectric properties of erbium doped borotellurite glass ceramics DOI
Noor Shamsiah Othman,

Yan Hua Lua,

E.S. Sazali

и другие.

Chalcogenide Letters, Год журнала: 2025, Номер 22(5), С. 451 - 459

Опубликована: Май 15, 2025

High-performance glass-ceramics are increasingly explored for their suitability in highfrequency dielectric applications, presenting a significant challenge materials science. A primary focus has been allocated to investigating borotellurite glasses operating at frequencies below 15 MHz. Borotellurite with the composition 69TeO₂-10B₂O₃- 10PbO-10ZnO-1Er₂O₃ were fabricated via melt-quenching method. This study examines effects of heat treatment durations (1–24 hours) on these glasses. Variations density, molar volume, structure, and properties attributed changes non-bridging oxygen bonding resulting from treatments. X-ray diffraction analysis confirmed amorphous nature as-quenched glass. Morphological due analyzed using field emission scanning electron microscopy, revealing grain size variations between 0.237 1.509 μm. Dielectric constant loss tangent measured approximately 7 GHz resonant method both glass glass-ceramic phases different crystallization times. Heat increased crystalline volume fraction within glass-ceramic. The material demonstrated up 17.75 ± 9 % 1.03 x 10-4 17 %, indicating potential use microwave applications.

Язык: Английский

Процитировано

0

Charge fluctuations in a cluster Mott state: Hard x-ray photoemission study on a breathing kagome magnet Nb3Cl8 DOI

R. Nakamura,

D. Takegami, K. Fujinuma

и другие.

Physical review. B./Physical review. B, Год журнала: 2024, Номер 110(8)

Опубликована: Авг. 14, 2024

We report on our hard x-ray photoemission study of ${\mathrm{Nb}}_{3}{\mathrm{Cl}}_{8}$, wherein the breathing Kagome lattice Nb provides interesting magnetic properties with spin 1/2 per trimer. The $\mathrm{Nb}\phantom{\rule{0.16em}{0ex}}3{d}_{5/2}$ and $3{d}_{3/2}$ core level peaks are accompanied by satellite peaks, suggesting importance $\mathrm{Nb}\phantom{\rule{0.16em}{0ex}}4d$ charge degrees freedom. $\mathrm{Cl}\phantom{\rule{0.16em}{0ex}}1s$ $2p$ spectra have high binding energy which can be assigned to Cl site $\mathrm{Cl}\phantom{\rule{0.16em}{0ex}}3p$ ligand holes near center indicate that Nb-Nb Nb-Cl fluctuations play crucial roles in interaction between trimers.

Язык: Английский

Процитировано

2

Negative Photoconductivity Photodetector based on two-dimesional Nb3Cl8 DOI Creative Commons

Bom Lee,

Xiaojie Zhang,

Jinsu Kang

и другие.

Nanoscale, Год журнала: 2024, Номер unknown

Опубликована: Янв. 1, 2024

We developed a Nb 3 Cl 8 -based photodetector with negative photoconductivity from 400 to 1050 nm, featuring high electron mobility, strong I on /I off ratio, and responsivity, making it ideal for energy-efficient optoelectronic applications.

Язык: Английский

Процитировано

1