EPR of VO2+ in KTiOPO4 Single Crystals

A. B. Vassilikou-Dova, S. Jansen, F. Wallrafen, G. Lehmann
1989 Zeitschrift fur Naturforschung A-A Journal of Physical Sciences  
KTi0P04 single crystals doped with V20 4 were grown from fluxes between 1323 and 1123 K with dimensions up to (10x5x5) mm3. Two crystallographically inequivalent centers of V02+ in the occupation ratio of 10:1 were detected by EPR at room temperature. Their z axes of largest hyperfine splitting are oriented close to the directions of the very short Ti O bonds of the two Ti in the structure. An energy difference for incorporation of V02+ into these two sites of -9.4+ 1.7 kJ/mol per pm difference
more » ... in bond lengths was obtained from the occupation ratio, the large limits of error being mainly due to uncertainties in the bond lengths. Additional hyperfine splitting caused by 31P nuclei as next-nearest neighbors was also resolved in most orientations.
doi:10.1515/zna-1989-0804 fatcat:dttn6ex3v5d4vp2krqsl2wd3a4