arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 1602.05367cond-mat.mes-hall

Optical Properties of Pure and Mixed Germanium and Silicon Quantum Dots

Shanawer Niaz, Aristides D. Zdetsis, Manzoor Ahmad Badar, Safdar Hussain, Imran Sadiq, Muhammad Aslam Khan

英文摘要:

We study the optical properties of hydrogen passivated silicon, germanium and mixed Ge/Si core/shell quantum dots (QDs) using high accuracy Density Functional Theory (DFT) and time-dependent DFT (TDFT). We employ the hybrid DFT functional of Becke, Lee, Yang and Parr (B3LYP) in combination with good quality basis sets. As we have shown in our previous work, this combination is an accurate and computationally efficient way for such calculations. The mixed quantum dots, as would be expected, are more versatile and offer more possibilities for band gap engineering, with gap values (electronic and optical) between those of the corresponding Si and Ge dots. Our results support the quantum confinement theory for all three types of QDs.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑