Research on characteristic properties of ASiGe nanoribbons materials for nanoelectronics and optoelectronics applications.

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Tác giả: Tran Minh Tien

Ngôn ngữ: eng

Ký hiệu phân loại:

Thông tin xuất bản: England : Royal Society open science , 2025

Mô tả vật lý:

Bộ sưu tập: NCBI

ID: 471685

This article presents the properties of armchair SiGe nanoribbon (ASiGeNR) configurations with varying ribbon widths. Using the Vienna Ab initio Simulation Package calculation program, several basic properties-such as electronic band structure, density of states, charge density distribution, real and imaginary parts of the dielectric functions, joint density of states (JDOS) and the optical absorption and reflection rates according to the energy of incident light-were investigated and evaluated. The electronic band structure was computed using both the generalized gradient approximation Perdew-Burke-Ernzerhof and HSE06 methods. The results show that the ASiGeNR configurations have a direct bandgap, ranging from a minimum of 0.0889 to a maximum of 0.7528 eV, depending on the number of atoms along the nanoribbon width, with the bandgap opening at the Γ point. There is a hybridization of sp² and sp³ orbitals in the ASiGeNRs, with the σ bonds being relatively stronger than the π bonds. ASiGeNR systems allow electromagnetic waves to pass through, primarily in the
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