The Scherrer equation is a widely used tool to obtain crystallite size
from polycrystalline samples. Its limit of applicability has been
determined recently, using computer simulations, for a few structures
and it was proposed that it is directly dependent on the linear
absorption coefficient (mu(0)) and Bragg angle (theta(B)). In this work,
a systematic study of the Scherrer limit is presented, where it is shown
that it is equal to approximately 11.9% of the extinction length. It is
also shown that absorption imposes a maximum value on it and that this
maximum is directly proportional to sin theta(B)/mu(0).
%0 Journal Article
%1 WOS:000418592200006
%A Miranda, M A R
%A Sasaki, J M
%C 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
%D 2018
%I INT UNION CRYSTALLOGRAPHY
%J ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
%K Scherrer crystallite diffraction; dynamical equation; kinematical limit; size} theory; {X-ray
%N 1
%P 54-65
%R 10.1107/S2053273317014929
%T The limit of application of the Scherrer equation
%V 74
%X The Scherrer equation is a widely used tool to obtain crystallite size
from polycrystalline samples. Its limit of applicability has been
determined recently, using computer simulations, for a few structures
and it was proposed that it is directly dependent on the linear
absorption coefficient (mu(0)) and Bragg angle (theta(B)). In this work,
a systematic study of the Scherrer limit is presented, where it is shown
that it is equal to approximately 11.9% of the extinction length. It is
also shown that absorption imposes a maximum value on it and that this
maximum is directly proportional to sin theta(B)/mu(0).
@article{WOS:000418592200006,
abstract = {The Scherrer equation is a widely used tool to obtain crystallite size
from polycrystalline samples. Its limit of applicability has been
determined recently, using computer simulations, for a few structures
and it was proposed that it is directly dependent on the linear
absorption coefficient (mu(0)) and Bragg angle (theta(B)). In this work,
a systematic study of the Scherrer limit is presented, where it is shown
that it is equal to approximately 11.9% of the extinction length. It is
also shown that absorption imposes a maximum value on it and that this
maximum is directly proportional to sin theta(B)/mu(0).},
added-at = {2022-05-23T20:00:14.000+0200},
address = {2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND},
author = {Miranda, M A R and Sasaki, J M},
biburl = {https://www.bibsonomy.org/bibtex/253fdab4623160bbe914c40aceb057c48/ppgfis_ufc_br},
doi = {10.1107/S2053273317014929},
interhash = {e892721586b6d851e714d59fb6f84185},
intrahash = {53fdab4623160bbe914c40aceb057c48},
issn = {2053-2733},
journal = {ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES},
keywords = {Scherrer crystallite diffraction; dynamical equation; kinematical limit; size} theory; {X-ray},
number = 1,
pages = {54-65},
publisher = {INT UNION CRYSTALLOGRAPHY},
pubstate = {published},
timestamp = {2022-05-23T20:00:14.000+0200},
title = {The limit of application of the Scherrer equation},
tppubtype = {article},
volume = 74,
year = 2018
}