This paper presents a fully ab initio many-body photoemission framework that includes coherent three-body electron-photon-phonon scattering to predict the transverse momentum distributions and the mean transverse energies (MTEs) of bulk photoelectrons from single-crystal photocathodes. The need to develop such a theory stems from the lack of studies that provide complete understanding of the underlying fundamental processes governing the transverse momentum distribution of photoelectrons emitted from single crystals.

Shape-memory actuators allow machines ranging from robots to medical implants to hold their form without continuous power, a feature especially advantageous for situations where these devices are untethered and power is limited. Although previous work has demonstrated shape-memory actuators using polymers, alloys, and ceramics, the need for micrometer-scale electro–shape-memory actuators remains largely unmet, especially ones that can be driven by standard electronics ( 1 volt).

Although often ignored in first-principles studies of material behavior, electronic free energy can have a profound effect in systems with a high-temperature threshold for kinetics and a high Fermi-level density of states (DOS). Nb3Sn and many other members of the technologically important A15 class of superconductors meet these criteria. This is no coincidence: both electronic free energy and superconducting transition temperature Tc are closely linked to the electronic density of states at the Fermi level.

We study mechanisms of vortex nucleation in Nb3Sn superconducting RF (SRF) cavities using a combination of experimental, theoretical, and computational methods. Scanning transmission electron microscopy imaging and energy dispersive spectroscopy of some Nb3Sn cavities show Sn segregation at grain boundaries in Nb3Sn with Sn concentration as high as ∼35 at. % and widths ∼3 nm in chemical composition. Using ab initio calculations, we estimate the effect excess tin has on the local superconducting properties of the material.

Grain boundaries play a critical role in superconducting applications of Nb3Sn: in dc applications, grain boundaries preserve the material's inherently high critical current density by pinning flux, while in ac applications grain boundaries can provide weak points for flux entry leading to significant dissipation. We present the first ab initio study to investigate the physics of different grain boundary types in Nb3Sn and their impact on superconductivity using density-functional theory.

Achieving a low mean transverse energy or temperature of electrons emitted from the photocathode-based electron sources is critical to the development of next-generation and compact X-ray free electron lasers and ultrafast electron diffraction, spectroscopy, and microscopy experiments. In this Letter, we demonstrate a record low mean transverse energy of 5 meV from the cryo-cooled (100) surface of copper using near-threshold photoemission.

Niobium superconducting radio frequency (SRF) cavities enable the operation of modern superconducting accelerator facilities. These cavities do not approach the theoretical performance limits of Nb due to the deleterious effects of surface defects and chemical inhomogeneities such as Nb hydrides. Nitrogen doping is known to consistently increase the cavity performance and inhibit Nb hydride growth, but a comprehensive understanding of Nb hydride growth and suppression is not yet realized.

Recent developments in twisted and lattice-mismatched bilayers have revealed a rich phase space of van der Waals systems and generated excitement. Among these systems are heterobilayers, which can offer new opportunities to control van der Waals systems with strong in plane correlations such as spin-orbit-assisted Mott insulator α-RuCl3. Nevertheless, a theoretical ab initio framework for mismatched heterobilayers without even approximate periodicity is sorely lacking.

Recent research on photocathodes for photoinjectors has focused on the understanding of the photoemission process at low energy (i.e. at photon energy close to the material’s work function) as well as on the study of ordered and innovative photocathode materials, with the aim of minimizing the emittance at the cathode. We here present a preliminary study on low energy photoemission from (100) oriented Ba1−xLaxSnO3 thin films, characterizing their quantum efficiency and the mean transverse energy of the photoelectrons.

Niobium-3 Tin (Nb3Sn) is a very promising alternative material for SRF accelerator cavities. The material can achieve higher quality factors, higher temperature operation and potentially higher accelerating gradients (Eacc ˜ 96 MV/m) compared to conventional niobium. This material is formed by vaporizing Sn in a high temperature vacuum furnace and letting the Sn absorb into a Nb substrate to form a 2-3 µm Nb3Sn layer. Current Nb3Sn cavities produced at Cornell achieve Q ˜ 2 · 1010 at 4.2 K and Eacc = 17 MV/m.