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arXiv 0909.4353cond-mat.mes-hallcond-mat.mtrl-sci
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阶跃脉冲偏压下分子器件的瞬态动力学

Transient dynamics of molecular devices under step-like pulse bias

Bin Wang, Yanxia Xing, Lei Zhang, Jian Wang

摘要:

利用第一性原理研究了阶跃脉冲作用下分子器件的电流随时间的变化,结果表明,虽然分子器件的开启时间与渡越时间相当,但达到稳态所需的时间要长得多.在达到稳态时,电流由费米能级以下的共振态主导。每个谐振态对电流的贡献表现出阻尼振荡行为,频率等于阶跃脉冲的偏置,衰减速率由相应谐振态的寿命决定。我们发现,所有的费米能级以下的共振态必须包括准确的结果。这表明,超越宽带限制是必要的分子器件的瞬态动力学的定量分析。

英文摘要:

We report first principles investigation of time-dependent current of molecular devices under a step-like pulse.Our results show that although the switch-on time of the molecular device is comparable to the transit time, much longer time is needed to reach the steady state. In reaching the steady state the current is dominated by resonant states below Fermi level. The contribution of each resonant state to the current shows the damped oscillatory behavior with frequency equal to the bias of the step-like pulse and decay rate determined by the life time of the corresponding resonant state. We found that all the resonant states below Fermi level have to be included for accurate results. This indicates that going beyond wideband limit is essential for a quantitative analysis of transient dynamics of molecular devices.

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。

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