华南师范大学学报(自然科学版)
華南師範大學學報(自然科學版)
화남사범대학학보(자연과학판)
JOURNAL OF SOUTH CHINA NORMAL UNIVERSITY (NATURAL SCIENCE EDITION)
2014年
5期
41-44
,共4页
碳纳米管%组态相互作用%激子%吸收谱
碳納米管%組態相互作用%激子%吸收譜
탄납미관%조태상호작용%격자%흡수보
single-walled carbon nanotubes%configuration interaction%exciton%absorption spectrum
利用单激发组态相互作用( SCI )方法,对半导体性单壁碳纳米管的电子结构和光学吸收谱进行理论计算。结果表明,激发碳纳米管得到了由电子空穴对相互束缚而成的激子,除了实验上常观测到的低能激子态之外,在高能处,甚至在连续能带中还出现了激子。部分高能激子来源于类似表面态的激发。
利用單激髮組態相互作用( SCI )方法,對半導體性單壁碳納米管的電子結構和光學吸收譜進行理論計算。結果錶明,激髮碳納米管得到瞭由電子空穴對相互束縳而成的激子,除瞭實驗上常觀測到的低能激子態之外,在高能處,甚至在連續能帶中還齣現瞭激子。部分高能激子來源于類似錶麵態的激髮。
이용단격발조태상호작용( SCI )방법,대반도체성단벽탄납미관적전자결구화광학흡수보진행이론계산。결과표명,격발탄납미관득도료유전자공혈대상호속박이성적격자,제료실험상상관측도적저능격자태지외,재고능처,심지재련속능대중환출현료격자。부분고능격자래원우유사표면태적격발。
Using single configuration interaction (SCI) method, we calculated electronic structure and optical ab-sorption of two semiconducting single-walled carbon nanotubes and analyzed their absorption spectra .Our results show that in the continuum region , there are high energy excitons .Some of the high energy exciton originated from the excitation from states that are like surface states , which could be achieved through impurities or defects in nano-tubes .