Buckling variation effects on optical and electronic properties of GeP2S nanostructure: a first-principles calculation

Abstract

In this study, by using the first-principles calculations based on density functional theory (DFT), the electronic aspects of GeP2S monolayer under the effect of buckling variation parameter (μ = 0, 2, 4, 6) are theoretically investigated by the PBE-GGA approximation method, and the obtained results have been compared with previous similar structures. We presented the imaginary part of the dielectric function and absorption spectra for in-plane and out-of-plane polarization of GeP2S monolayer by PBE, HSE06, and TD-HSE06 methods. Also, optical aspects for this 2D nanostructure are presented in out-of-plane polarization under buckling variation conditions up to μ = 6. It was shown that particularly for the range of visible light spectrum its optical behaviors match with its electronic ones. Consequently, the obtained results suggest GeP2S as a suitable material for designing optoelectronic devices.

Thermal Conductivity of Nanostructure in Microelectronic Equipment and the Enhancement of Its Thermo-Physical Properties

“…With the development of modern electronic equipment, the design of such equipment develops toward the directions of highly integrated and multifunctional, and the heat dissipation problem during operation rises consequently [11][12][13][14]. If the heat of the electronic equipment cannot dissipate in a timely manner, it'll affect the performance of the equipment and even cause thermal damage to it [15][16][17][18][19][20][21]. To optimize the heat dissipation performance of microelectronic equipment, optical instrument, and optoelectronic devices, it's necessary to explore the heat transfer mechanism of the nanostructure in them, design new materials and new-type devices for energy conversion and utilization that could meet the heat dissipation requirements of electronic equipment, and figure out the laws of specific data changes.…”