The limit of application of the Scherrer equation

M. A. R. Miranda, J. M. Sasaki

Index: 10.1107/S2053273317014929

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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 (μ0) and Bragg angle (gθB). 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 gθB/μ0. Study of the limit of applicability of the Scherrer equation has found it is approximately 11.9% of the extinction length and has a maximum value because of absorption.