By means of both a theory for pressure-induced shifts(PS) energy spectra and a theory for shifts of energy spectra due to electron-phonon interaction(EPIP.the pure electronic PS and the PS due to EPI of R1 line,R2 lin...By means of both a theory for pressure-induced shifts(PS) energy spectra and a theory for shifts of energy spectra due to electron-phonon interaction(EPIP.the pure electronic PS and the PS due to EPI of R1 line,R2 line,and U band of GSGG:Cr^3+ at 300 K have been calculated,respectively.The calcualted results are in good agreement with all the experimental data.Their physical origins have also been explained.It is found that the mixingdegree of t2^2(^3T1)e^4T2) and |t2^3 3E>base-wavefunctions in the wavefunctions of R1 level of GSGG:Cr^3+ at 300K is remarkable under normal pressure,and the mixing-degree rapidly decreases with increasing pressure.The change of the mixing-degree with pressure plays a key role not only for the pure electronic'PS of R1 line and R2 line but also the PS of R1 line and R2 line due to EPI.The pressure-dependent behaviors of the pure electronic 'PS of R1 line(or R2 line) and the PS of R1 line(or R2 line) due to EPI are quite different.It is the combined effect of them that gives rise to the total PS of R1 line(or R2 line).In the range of about 15 kar-45kbar,the mergence and /or order-reversal between t2^2(3T1)e^4T2 levels and t2^32T1 levels take place,which cause the fluctuation of the rate of PS for t2^2(3T1)e^4T2(or t2^32T1) with pressure,At 300K,both the temperature-dependent contribution to R1 line(Or R2 line or U band) from EPI and the temperature-independent one are important.展开更多
The electron paramagnetic resonance (EPR) parameters (zero-field splitting D and g factors g‖, g ) of Cr4+ions in Ca2 GeO4 crystals have been calculated from the complete high-order perturbation formulas of EPR param...The electron paramagnetic resonance (EPR) parameters (zero-field splitting D and g factors g‖, g ) of Cr4+ions in Ca2 GeO4 crystals have been calculated from the complete high-order perturbation formulas of EPR parameters for a 3d2 ion in trigonal MX4 clusters. In these formulas, in addition to the contributions to EPR parameters from the widely used crystal-field (CF) mechanism, the contributions from the charge-transfer (CT) mechanism (which are often neglected) are included. From the calculations, it is found that for the high valence state 3dm ions in crystals, the reasonable explanation of EPR parameters (in particular, the g factors) should take both the CF and CT mechanisms into account.展开更多
By means of both a theory for pressure-induced shifts (PS) of energy spectra and a theory for shifts ofenergy spectra due to electron-phonon interaction (EPI), the 'pure electronic' PS and the PS due to EPI of...By means of both a theory for pressure-induced shifts (PS) of energy spectra and a theory for shifts ofenergy spectra due to electron-phonon interaction (EPI), the 'pure electronic' PS and the PS due to EPI of R1 line ofGSGG:Cr3+ at 70 K have been calculated, respectively. Their physical origins have been revealed. It is found that theremarkable under the normal pressure, and the degree of the admixture rapidly decreases with increasing pressure. Thechange of the degree of the admixture with the pressure plays a key role for not only the pure electronic PS of R1 line butalso the PS ofR1 line due to EPL The detailed calculations and analyses show that the pressure-dependent behaviors ofthe pure electronic PS of R1 line and the PS of R1 line due to EPI are quite different. It is the combined effect of themthat gives rise to the total PS of R1 line, which has satisfactorily explained the experimental data (including a reversal ofPS of R1 line). In contributions to PS of R1 line due to EPI at 70 K, the temperature-independent contribution is muchlarger than the temperature-dependent contribution. The former results from the interaction between the zero-pointvibration of the lattice and localized electronic state.展开更多
文摘By means of both a theory for pressure-induced shifts(PS) energy spectra and a theory for shifts of energy spectra due to electron-phonon interaction(EPIP.the pure electronic PS and the PS due to EPI of R1 line,R2 line,and U band of GSGG:Cr^3+ at 300 K have been calculated,respectively.The calcualted results are in good agreement with all the experimental data.Their physical origins have also been explained.It is found that the mixingdegree of t2^2(^3T1)e^4T2) and |t2^3 3E>base-wavefunctions in the wavefunctions of R1 level of GSGG:Cr^3+ at 300K is remarkable under normal pressure,and the mixing-degree rapidly decreases with increasing pressure.The change of the mixing-degree with pressure plays a key role not only for the pure electronic'PS of R1 line and R2 line but also the PS of R1 line and R2 line due to EPI.The pressure-dependent behaviors of the pure electronic 'PS of R1 line(or R2 line) and the PS of R1 line(or R2 line) due to EPI are quite different.It is the combined effect of them that gives rise to the total PS of R1 line(or R2 line).In the range of about 15 kar-45kbar,the mergence and /or order-reversal between t2^2(3T1)e^4T2 levels and t2^32T1 levels take place,which cause the fluctuation of the rate of PS for t2^2(3T1)e^4T2(or t2^32T1) with pressure,At 300K,both the temperature-dependent contribution to R1 line(Or R2 line or U band) from EPI and the temperature-independent one are important.
文摘The electron paramagnetic resonance (EPR) parameters (zero-field splitting D and g factors g‖, g ) of Cr4+ions in Ca2 GeO4 crystals have been calculated from the complete high-order perturbation formulas of EPR parameters for a 3d2 ion in trigonal MX4 clusters. In these formulas, in addition to the contributions to EPR parameters from the widely used crystal-field (CF) mechanism, the contributions from the charge-transfer (CT) mechanism (which are often neglected) are included. From the calculations, it is found that for the high valence state 3dm ions in crystals, the reasonable explanation of EPR parameters (in particular, the g factors) should take both the CF and CT mechanisms into account.
文摘By means of both a theory for pressure-induced shifts (PS) of energy spectra and a theory for shifts ofenergy spectra due to electron-phonon interaction (EPI), the 'pure electronic' PS and the PS due to EPI of R1 line ofGSGG:Cr3+ at 70 K have been calculated, respectively. Their physical origins have been revealed. It is found that theremarkable under the normal pressure, and the degree of the admixture rapidly decreases with increasing pressure. Thechange of the degree of the admixture with the pressure plays a key role for not only the pure electronic PS of R1 line butalso the PS ofR1 line due to EPL The detailed calculations and analyses show that the pressure-dependent behaviors ofthe pure electronic PS of R1 line and the PS of R1 line due to EPI are quite different. It is the combined effect of themthat gives rise to the total PS of R1 line, which has satisfactorily explained the experimental data (including a reversal ofPS of R1 line). In contributions to PS of R1 line due to EPI at 70 K, the temperature-independent contribution is muchlarger than the temperature-dependent contribution. The former results from the interaction between the zero-pointvibration of the lattice and localized electronic state.
