Skip to main content
U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

Temperature and Radiation Effects at the Fluorine K-edge in LiF



Craig P. Schwartz, Francisco Ponce, Stephan Friedrich, Stephen P. Cramer, John Vinson, David Prendergast


The F K-edge of LiF is studied both experimentally and theoretically as a function of temperature. Instantaneous thermal fluctuations in atomic positions are shown in molecular dynamics simulations to increase in amplitude from 0.029 - 0.064 Å in the temperature range from 40 - 298 K. This is sufficient to cause instantaneous deviations from local octahedral atomic symmetry in this rock-salt crystal, resulting in altered electronic structure and symmetry of the lowest core-excited states of F atoms, evident in X-ray absorption at the F K- edge. In addition, with sufficient radiation exposure, a new X-ray absorption peak is seen in experiment, well below the absorption edge of LiF, which, based on calculations and comparison to previous experiments, is assigned to molecular fluorine (F2).
Journal of Electron Spectroscopy and Related Phenomena




Schwartz, C. , Ponce, F. , Friedrich, S. , Cramer, S. , Vinson, J. and Prendergast, D. (2017), Temperature and Radiation Effects at the Fluorine K-edge in LiF, Journal of Electron Spectroscopy and Related Phenomena, [online], (Accessed February 28, 2024)
Created May 29, 2017, Updated October 12, 2021