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

Insights into magnetism generation in pristine O-polar ZnO thin films through Kr ion implantation: experimental and theoretical study DOI
A. Bouhmouche, I. Rhrissi, Ali Saeedi

и другие.

Journal of Materials Science, Год журнала: 2024, Номер 59(27), С. 12587 - 12599

Опубликована: Июль 1, 2024

Язык: Английский

Процитировано

0
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

Процитировано

0