DYNAMIC JAHN-TELLER EFFECT IN OCTAHEDRALLY COORDINATED D1 IMPURITY SYSTEMS

被引:126
作者
MACFARLANE, RM
WONG, JY
STURGE, MD
机构
[1] Department of Physics, Stanford University, Stanford, CA
[2] Bell Telephone Laboratories, Murray Hill, NJ
[3] Stanford Research Institute, Menlo Park, CA
来源
PHYSICAL REVIEW | 1968年 / 166卷 / 02期
关键词
D O I
10.1103/PhysRev.166.250
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We have calculated the effect of first- and second-order spin-orbit, trigonal, and Zeeman interactions within the vibronic states of the d1 2T2 term, and also the smaller configurational interaction with the excited E2 term. A model is used which includes only interactions with vibrational modes having Eg symmetry about the impurity site. It is found that second-order vibronic effects can be very important even though the electron lattice coupling may be relatively weak. The uniform partial quenching of crystal-field splittings, characteristic of a first-order vibronic calculation, is modified in second order. The recently observed far-infrared spectra of Al2O3:Ti3+ and Al2O3:V4+ can be explained quantitatively by the inclusion of these second-order terms. Moreover, our calculations explain for the first time the hitherto anomalous ground-state g values of Al2O3:Ti3+. For Al2O3:V4+, the ground-state spin resonance has not been positively identified, but we predict g1.5, g0. We find Jahn-Teller energies of 200 and 320 cm-1 for Al2O3:Ti3+ and Al2O3:V4+, respectively, and an effective Eg mode frequency of 200 cm-1. © 1968 The American Physical Society.
引用
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页码:250 / +
页数:1
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