Analysis of EXAFS oscillation of monocrystalline diamond-semiconductors using anharmonic correlated Debye model
Department of Basic Sciences, University of Fire Prevention and Fighting, 243 Khuat Duy Tien, 120602, Hanoi, Vietnam
Accepted: 30 March 2021
Published online: 15 May 2021
This paper calculates and analyzes the temperature and wavenumber dependence of the extended X-ray absorption fine structure (EXAFS) oscillation of monocrystalline diamond-semiconductors. The anharmonic EXAFS oscillation is presented in terms of the Debye–Waller factor in the cumulant expansion approach up to the fourth order. The calculation model is completed and developed from the many-body perturbation approach and correlated Debye model based on the anharmonic effective potential that depends on the crystal structure type and obtained from the first shell near-neighbor contribution approach. The analysis model is performed by evaluating the influence of EXAFS cumulants on the phase shift and amplitude reduction in the anharmonic EXAFS oscillation. The numerical results for monocrystalline germanium agree well with those obtained from the experiments and other theoretical methods at various temperatures. These results show that the present model is useful for analyzing the experimental data of the anharmonic EXAFS signals.
© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2021