The thermal diffuse scattering (TDS) of X-rays in the anharmonic one-phonon and harmonic two-phonon approximations is considered. The complete expression for the one-phonon intensity of X-rays is derived by perturbation theory and presented for a polyatomic crystal in the high-temperature limit. The method of evaluating the corrections of the X-rays intensities for the thermal diffuse scattering is given and the importance taking into account the anharmonic effects in the one-phonon scattering for KZnF,, CsCl, and YBa,Cu,O, crystals at room temperature is discussed. Anharmonic TDS-effects achieve considerable magnitudes for soft (acoustic) anharmonic crystals as CsCI.PaCCMOTpeHO TenJIOBOe AH@@y3HOe PaCCeXHAe PeHTreHOBCKHX JIyYeg B aHrapMOHHYeCKOM OnHO-(POHOHHOM I4 rapMOHHYeCKOM ABYX(POHOHH0M n p~6 n~~e~n f l x .c IIOMOUIbK) TeOpUU BO3MYlLleHHG
The effect of anharmonic atomic vibrations on the elastic scattering of X-rays by a crystal is treated by time-independent perturbation theory. The complete expression for the anharmonic temperature factor (TF) in the high-temperature limit is presented for atoms in general positions. The phonon-phonon interactions in an anharmonic crystal may be identified with X-ray diffraction data by using various temperature and scattering vector q dependencies of different anharmonic contri-butions to the TF. The expression for the intensity of elastic scattering by an anharmonic crystal contains an additional factor -the anharmonic cross-term. This term has to be taken into account for obtaining the unbiased thermal parameters of fourth order in | q | from X-ray diffraction data.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.