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Microscopic—Theoretical Calculations of R—Line Thermal Shifts and Broadenings of MgO:V^2+ 认领 引用 被引量：1
1
作者 MADong－Ping MANing 《Communications in Theoretical Physics》 SCIE CAS 2002年第5期631-636,共6页
A great improvement on a previous work (Phys. Rev. B48 (1993) 14067) has been made. By taking into account all the irreducible representations and their components in the electron-phonon interaction (EPI) as well as a... A great improvement on a previous work (Phys. Rev. B48 (1993) 14067) has been made. By taking into account all the irreducible representations and their components in the electron-phonon interaction (EPI) as well as all the levels and the admixtures of basic wavefunctions within d3 electronic configuration, the values of all the parameters in the expressions of thermal shift (TS) and thermal broadening (TB) from EPI for the ground level, R level and R line of MgO:V2+ have microscopically been evaluated; and then, both the TS and TB of R line and various contributions to them have uniformly been calculated. The results are in very good agreement with the experimental data. It is found that all the three terms of TS from EPI are red shifts; the term of the contribution to TS from thermal expansion is blue shift. The Raman term is the largest, and the other terms are also important for TS. The R-line TS of MgO:V2+ comes from the first-order term of EPI. The elastic Raman scattering of acoustic phonons plays a dominant role in R-line TB of MgO:V2+. For calculations of both the TS and TB, it is very important to take into account all the admixtures of wavefunctions. 展开更多
关键词 crystal fields optical properties electron-phonon interaction electronic structure thermal shift and broadening thermal expansion
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Pressure—Induced Shifts of Energy Spectra of α—Al2O3:Mn^4+ 认领 引用
2
作者 MADong－Ping MANing 《Communications in Theoretical Physics》 SCIE CAS 2002年第1期111-116,共6页
By making use of the diagonalization of the complete d3 energy matrix in a trigonally distorted cubic-field and the theory of pressure-induced shifts (PS) of energy spectra, the whole energy spectrum of α-Al2 O3 :Mn4... By making use of the diagonalization of the complete d3 energy matrix in a trigonally distorted cubic-field and the theory of pressure-induced shifts (PS) of energy spectra, the whole energy spectrum of α-Al2 O3 :Mn4+ and PS of levels have been calculated. All the calculated results are in excellent agreement with the experimental data. The comparison between the results ofα-AlO3:Mn4+ and ruby has been made. It is found that on one hand, R1-line and R2line PS of α-Al2O3:Mn4+ and ruby are linear in pressure over 0 ～ 100 kbar, and their values of the principal parameter for PS are very close to each other. On the other hand, the sensitivities of R1-line and R2-line PS of α-Al2O3:Mn4+are higher than those of ruby respectively, which comes mainly from the difference between the values of parameters at normal pressure of two crystals; moreover, the expansion ofd-electron wavefunctions of α-Al2 O3 :Mn4+ with compression is slightly larger than the one of ruby, and the effective charge experienced by d-electrons of α-Al2O3:Mn4+ decreases with compression more rapidly than the one of ruby. In the final analysis, all these can be explained in terms of the facts that the two crystals are doped α-Al2O3 with two isoelectronic ions; the strengths of the crystal field and covalency of α-Al2O3 :Mn4+ are larger than those of ruby respectively, due to the charge of Mn4+ to be larger than that of Cr3+. 展开更多
关键词 晶体 能谱位移 高压效应
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