Optical Control of Transport and Dynamics in Junctions

西北大学的Tamar Seideman获得了理论模型和计算方法计划的奖项，用于开发分子结中电输运和振动动力学相干控制的新方法。该方法基于半导体分子电子学和低频、亚带隙光的应用。这个项目的重点是纳米器件和相干控制中电子输运的理论和计算实现。目前的形式主义始终占电子散射动力学，核动力学的可能性，电子和振动运动的非绝热耦合，与光的相互作用，电极的等离子体响应，以及由于电子空穴对激发和电极声子的耗散。此外，还发展了一种计算分子结输运性质的新方法。该方法适用于基于晶闸管的结，并且足够有效以在控制方案中实现。其中的应用与理论和计算的重点是传输，动力学，等离子体激元响应在Au-C60-Au结，STM驱动的表面纳米化学，和纳米等离子体激元。这些发展大多是对三个合作实验组的前沿研究的补充。 这种类型的合作增强了理论和实验组学生的教育和研究经验。更广泛的影响是由于该小组继续参与各种推广和教学活动，包括在国家纳米科学学习和教学中心（NCLT），计算纳米技术网络（NCN），少数民族本科生暑期研究机会计划（SROP），本科生和教师计划的研究经验（分别为REU和RET）;在一个利用科学在以色列和巴勒斯坦学生之间建立合作和友谊的项目中工作;在两个国际学生交流项目中提供咨询和指导;指导几名本科生;并向老年人和儿童提供有关纳米技术的讲座。此外，还向科学界提供了数字编码，并广为传播。

Tamar Seideman of Northwestern University is supported by an award from the Theory Models and Computational Method program for developing a new approach to coherent control of both electric transport and vibrational dynamics in molecular junctions. The approach is based on semiconductor molecular electronics and the application of low-frequency, sub-bandgap light. This project focuses on theory and computational realizations of electronic transport in nanodevices and coherent control. The present formalism consistently accounts for the electron scattering dynamics, the possibility of nuclear dynamics, the nonadiabatic coupling of the electronic and vibrational motions, the interaction with light, the plasmonic response of the electrodes, and the dissipation due to electron hole pair excitation and to electrode phonons. Additionally, a novel numerical method is developed for computing the transport properties of molecular junctions. This method is applicable to semiconductor-based junctions and is efficient enough to be implemented in a control scheme. Among the applications to be addressed with theoretical and computational emphases are transport, dynamics, plasmonic response in Au-C60-Au junctions, STM driven surface nanochemistry, and nanoplasmonics. Most of these developments are complementary to forefront research in three collaborative experimental groups. This type of collaboration enhances the education and research experience of students in both theoretical and experimental groups. Broader impacts result from the continued engagement of this group in a variety of outreach and teaching activities, including work within the National Center for Learning and Teaching in the nanosciences (NCLT), the Network for Computational Nanotechnology (NCN), the Summer Research Opportunities Program for minority undergraduate students (SROP), the Research Experience for Undergraduates and for Teachers Programs (REU and RET, respectively); work within a program that uses science to create collaboration and friendship between Israeli and Palestinian students; advising and mentoring in two international student exchange programs; guidance of several undergraduate students; and delivery of lectures about nanotechnology to the elderly and to children. Furthermore, the numerical code is made available to the scientific community and is broadly disseminated.