The anisotropy of the internal magnetic field on the central ion is capable of imposing great impact on the quantum tunneling of magnetization of Kramers single-ion magnets

In this work, a theoretical method, taking into account the anisotropy of the internal magnetic field (int), is proposed to predict the rate of quantum tunneling of magnetization (QTM), i.e., τQTM−1, for Kramers single-ion magnets (SIMs). Direct comparison to both experimental and previous theoretical results of three typical Kramers SIMs indicates the necessity of the inclusion of the anisotropy of int for accurate description of QTM. The predictions of the method here are consistent with the theory proposed by Prokof'ev and Stamp (PS). For Kramers SIMs of high magnetic axiality, the QTM rates, predicted by the method here, are almost linearly proportional to the results by the PS method. The dependence of τQTM−1 on various parameters is analyzed for model systems. The averaged magnitude of int (Bave) and principal g value of the axial direction (gZ) are the parameters on which τQTM−1 is linearly dependent. The ones on which τQTM−1 is quadratically dependent are gXY, i.e., the principal g value of the transversal direction, and xaniso characterizing the anisotropy of int. Compared to Bave and gZ, gXY and xaniso provide a higher order of dependence for QTM. Therefore regulation of the SMM property via introduction of desired values of gXY and xaniso ought to be a strategy more efficient than the one via Bave and gZ. Being different from the one via gXY, the strategy via xaniso to regulate the QTM has been rarely touched upon according to our best knowledge. However, this strategy could also lead to significant improvement since it is the same as gXY in the aspect of the dependence of τQTM−1.