Effect of atomic vibrations in XANES: polarization-dependent damping of the fine structure at the Cu K-edge of (creat).sub.2./sub.CuCl.sub.4./sub.

0466756 - FZÚ 2017 RIV GB eng J - Článek v odborném periodiku
Šipr, Ondřej - Vackář, Jiří - Kuzmin, A.
Effect of atomic vibrations in XANES: polarization-dependent damping of the fine structure at the Cu K-edge of (creat)₂CuCl₄.
Journal of Synchrotron Radiation. Roč. 23, č. 6 (2016), s. 1433-1439. ISSN 0909-0495. E-ISSN 1600-5775
Grant CEP: GA MŠMT LD15097
Institucionální podpora: RVO:68378271
Klíčová slova: XANES * vibrations * multiple-scattering formalism
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 3.011, rok: 2016

Polarization-dependent damping of the fine structure in the Cu K-edge spectrum of creatinium tetrachlorocuprate [(creat)2CuCl4] in the X-ray absorption near-edge structure (XANES) region is shown to be due to atomic vibrations. These vibrations can be separated into two groups, depending on whether the respective atoms belong to the same molecular block; individual molecular blocks can be treated as semi-rigid entities while the mutual positions of these blocks are subject to large mean relative displacements. The effect of vibrations can be efficiently included in XANES calculations by using the same formula as for static systems but with a modified free-electron propagator which accounts for fluctuations in interatomic distances.
Trvalý link: http://hdl.handle.net/11104/0265124