ISSN:
1089-7550
Source:
AIP Digital Archive
Topics:
Physics
Notes:
There have been many measurements appeared from the EPR of 3d ions doped in KMgF3 and in KZnF3. One reason for this interest is realization that these are related to the still imperfectly understood mechanism of superexchange in magnetically ordered compounds. In KMgF3, Mg2+ is in cubic site symmetry. But the EPR measurement shows that the paramagnetic ion is in strong axial environment as it substitutes the site of Mg2+. J. J. Krebs showed that the axial crystal field of Fe3+ in KMgF3:Fe3+ is contributed by both K+ vacancy and the distortion of the nearest-neighbor F− ions. J. L. Patel reported the EPR of Cr3+ doped in KMgF3 and in KZnF3 and estimated the values of Δg=g(parallel)−g⊥, the zero-field splitting D by considering the K+ vacancy. But the calculated value of D (−0.027 cm−1) is far away from the experimental finding (−0.1528 cm−1). In addition, the formula employed by J. L. Patel is a wrong one. In the present work, the values of Δg and D are computed by ab initio calculation. The calculated values (Δg=−0.0006, D=−0.132 cm−1) are in accordance with the experimental findings (Δg=−0.0006, D=−0.1528 cm−1). And the present work predicts that the distortion of the nn F− ions, 3.76° and −0.64° deviating from C3 axis, respectively, are existed, which agrees with the prediction of J. J. Krebs about KMgF3:Fe3+.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.334957
