The use of infrared lasers to power accelerating dielectric structures is a developing area of research. Within this technology, the choice of the dielectric material forming the accelerating structures, such as the photonic band gap (PBG) structures, is dictated by a range of interrelated factors including their dielectric and optical properties, amenability to photo-polymerization, thermochemical stability and other target performance metrics of the particle accelerator. In this direction, electronic structure theory aided computational screening and design of dielectric materials can play a key role in identifying potential candidate materials with the targeted functionalities to guide experimental synthetic efforts. In an attempt to systematically understand the role of chemistry in controlling the electronic structure and dielectric properties of organic polymeric materials, here we employ empirical screening and density functional theory (DFT) computations, as a part of our multi-step hierarchal screening strategy. Our DFT based analysis focused on the bandgap, dielectric permittivity, and frequency-dependent dielectric losses due to lattice absorption as key properties to down-select promising polymer motifs. In addition to the specific application of dielectric laser acceleration, the general methodology presented here is deemed to be valuable in the design of new insulators with an attractive combination of dielectric properties.

/pdf/computational-screening-of-organic-polymer-dielectrics-for-g04tmm37o9.pdf

Computational screening of organic polymer dielectrics for novel accelerator technologies

High-gradient particle acceleration with reduced power demands is essential for miniaturization and cost reduction of future accelerators. Applications for compact accelerators span collider research for High Energy Physics, light source development for Basic Energy Sciences and National Security, and industrial accelerators for Energy and Environmental Applications. Working Group 3 discussed and surveyed the recent advances in achieving higher gradients and better acceleration efficiency in externally powered, structure-based accelerators. The topics covered in Working Group 3 included dielectric laser acceleration, millimeter-wave accelerators, breakdown phenomena, exotic topologies such as photonic band-gap structures, artificial materials, and nanostructures, and novel rf technology.

Summary report of working group 3: Laser and high-gradient structure-based acceleration

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Summary report of working group 3: Laser and high-gradient structure-based acceleration