高师理科学刊2025，Vol.45Issue(11)：51-57,65,8.DOI:10.3969/j.issn.1007-9831.2025.11.009
GaAs低激发电子态势能曲线和光谱性质的理论研究
Theoretical study on potential energy curves and spectroscopic properties of low-lying excited states of GaAs
摘要
Abstract
The method of multi-reference configuration interaction(MRCI)is used to calculate 22 Λ-S states corresponding to the two lowest dissociation limits of GaAs molecule.According to the calculated single point potential energy,the potential energy curves(PECs)of GaAs molecule are drawn.The spectroscopic constants of electronic states are obtained from the PECs by using numerical method,which is in good agreement with the previous experimental results.The dipole moments(DMs)of 22 Λ-S states are calculated,and the variation curves of DMs are plotted.The influence of the changes in electronic configuration on PDMs is analyzed.In addition,the spin-orbit coupling matrix elements including 1 3Π and 2 3Π are calculated,and the interaction between the electronic states is illustrated by analyzing the absolute value of the spin-orbit coupling matrix elements at the intersection of the electronic states.Finally,the transition properties of 2 3Π-13Πand 2 3Π-X3Σ-states are analyzed,including transition dipole moments(TDMs),Frank-Condon factors(FCFs)and radiative lifetimes.关键词
势能曲线/光谱常数/跃迁性质/辐射寿命Key words
potential energy curves/spectroscopic constants/transition property/radiative lifetimes分类
数理科学引用本文复制引用
宫艳丽,窦荣龙,艾瑞波,罗旺,李瑞..GaAs低激发电子态势能曲线和光谱性质的理论研究[J].高师理科学刊,2025,45(11):51-57,65,8.基金项目
黑龙江省省属高等学校基本科研业务费科研项目(145309621,145409330) （145309621,145409330）
齐齐哈尔大学研究生创新科研项目(QUZLTS_CX2024014) （QUZLTS_CX2024014）
齐齐哈尔大学学位与研究生教育教学改革研究项目(JGXM-QUG-2022015) （JGXM-QUG-2022015）
齐齐哈尔大学大学生创新创业训练计划项目(x202310232147x) （x202310232147x）
