期刊
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
卷 74, 期 -, 页码 54-65出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2053273317014929
关键词
X-ray diffraction; Scherrer equation; dynamical theory; kinematical theory; Scherrer limit; crystallite size
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).
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