Abstract
Debye-Waller factors (DWFs) of metallic Cu (fcc crystal) in X-ray absorption fine structure (XAFS) presented in terms of cumulant expansion have been studied using the anharmonic correlated Debye model (ACDM). This ACDM is derived using the many-body perturbation approach and the anharmonic effective potential that includes the first shell near neighbor contributions to the vibration between absorber and backscatterer atoms. Analytical expressions of three first XAFS cumulants of Cu have been derived involving more information of phonon-phonon interactions taken from integration over the first Brillouin zone. Morse potential is assumed to describe the single-pair atomic interaction. Numerical results for Cu using the present ACDM show their good agreement with experiment and with those of other theories, as well as their advantage compared to those calculated using the single-pair potential.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
