Effect of atomic vibrations in XANES: polarization-dependent damping of the fine structure at the Cu K-edge of (creat)2CuCl4

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F16%3A00466756" target="_blank" >RIV/68378271:_____/16:00466756 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1107/S1600577516014570" target="_blank" >http://dx.doi.org/10.1107/S1600577516014570</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1107/S1600577516014570" target="_blank" >10.1107/S1600577516014570</a>

Result language

angličtina

Original language name

Effect of atomic vibrations in XANES: polarization-dependent damping of the fine structure at the Cu K-edge of (creat)2CuCl4

Original language description

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.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

BM - Solid-state physics and magnetism

OECD FORD branch

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Project

<a href="/en/project/LD15097" target="_blank" >LD15097: Full potential, many-body and spin-orbit-coupling effects in x-ray spectra of low-dimensional systems</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2016

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Synchotron Radiation

ISSN

1600-5775

e-ISSN

—

Volume of the periodical

23

Issue of the periodical within the volume

6

Country of publishing house

GB - UNITED KINGDOM

Number of pages

7

Pages from-to

1433-1439

UT code for WoS article

000386928700017

EID of the result in the Scopus database

2-s2.0-84992490668