利用Newman的晶场叠加模型,建立了晶体微观结构与电子顺磁共振(EPR)参量之间的定量关系.采用全组态完全对角化方法,对YAG:V2+晶体的局域晶格畸变及其EPR参量进行了系统的研究,结果表明:V2+离子掺入YAG晶体后,V2+离子的局域结构产生压缩三角晶格畸变,沿[111]晶轴方向V2+离子上方的三个O2-配体与下方的三个O2-配体均偏离[111]轴1.96°,从而成功地解释了YAG:V2+晶体的EPR参量.同时研究也表明,SS与SOO磁相互作用对EPR参量的贡献不可忽略.
参考文献
| [1] | Ching W Y;Xu Yongning .Ab-initio Calculation of Excited State Absorption of Cr4 +in Y3 Al5 O12[J].Applied Physics Letters,1999,74:3755. |
| [2] | Vink AP.;Meijerink A. .Electron-phonon coupling of Cr3+ in YAG and YGG[J].Journal of Luminescence: An Interdisciplinary Journal of Research on Excited State Processes in Condensed Matter,2000(0):601-604. |
| [3] | Rimai L;Kushida T .Paramagnetic Resonance of Fe3 + in Yttrium Aluminum, Lutetium Aluminum and Lutetium Gallium Garnets[J].Physical Review,1966,143:160. |
| [4] | Wamsley P R;Bray K L .High Pressure Optical Studies of Doped YAG[J].Journal of Luminescence,1994,60-61:188. |
| [5] | Yang Jiehui;Xu You .A Study of the Faraday Effect in Yttrium Aluminum Garnets Doped with Cerium[J].Zeitschrift für Physik B:Condensed Matter,1996,101:23. |
| [6] | VAN Tol M W;Esdonk J V .A High Luminance High-resolution Cathode-ray Tube for Special Purposes[J].IEEE Transactions on Electron Devices,1983,3(03):193. |
| [7] | Takugo I;Kazuyoshi O;Hirohiko A .Multiplet Structure of Tetrahedrally Coordinated Cr4 +and Cr5 +[J].Applied Physics Letters,2001,78:2154. |
| [8] | Takugo Ishii;Kazuyoshi Ogasawara;Hirohiko Adachi;Isao Tanaka .Theoretical calculation for the multiplet structure of the tetrahedrally coordinated Cr~(4+) in Y_3Al_5O_12[J].The Journal of Chemical Physics,2001(1):492-508. |
| [9] | Macfarlane R M .Zero Field Splitting of t23 Cubic Terms[J].Journal of Chemical Physics,1967,47:2066. |
| [10] | Macfarlane R M .Perturbation Methods in the Calculation of Zeeman Interactions and Magnetic Dipole Line Strengths for d3 Trigonal-crystal Spectra[J].Physical Review,1970,1:989. |
| [11] | Chen Jiajun;Du Maolu .Theoretical Investigation of the Optical Spectrum and the Gyromagnetic g Factor of CdS: V3+[J].Zeitschrift Für Naturforschung,2002,57:745. |
| [12] | 杨子元.LiTaO3：Cr3+晶体中Cr3+离子占位及其EPR参量的理论研究[J].人工晶体学报,1998(04):315-320. |
| [13] | Dong Huining;Wu Shaoyi;Zheng Wenchen .Theoretical Studies of the EPR g Factors and Optical Spectra for Tetragonal Ce3+ Centers in CaF2and SrF2 Crystals[J].Zeitschrift Für Naturforschung,2002,57:753. |
| [14] | Yu Wanlun;Rudowicz C .Comprehensive Approach to the Zero-field Splitting of 6S-state Ions: Mn2 + and Fe3 + in Fluoroperovskites[J].Physical Review B,1992,45(17):9736. |
| [15] | Zhou Yiyang .Substitution Position of the Impurity Ion Mn2 + in LiNbO3[J].Physical Review B,1991,43(13):11374. |
| [16] | 唐晟,董会宁.YAG∶V2+晶体电子顺磁共振参量和V2+杂质中心缺陷结构的理论研究[J].四川大学学报(自然科学版),2003(03):600-602. |
| [17] | Rudowicz C.;Yang ZY.;Yeung YY.;Qin J. .Crystal field and microscopic spin Hamiltonians approach including spin-spin and spin-other-orbit interactions for d(2) and d(8) ions at low symmetry C-3 symmetry sites: V3+ in Al2O3[J].The journal of physics and chemistry of solids,2003(8):1419-1428. |
| [18] | Yang Ziyuan;Hao Yue;Rudowicz C et al.Theoretical Investigations of the Microscopic Spin 1Hamiltonian Parameters Including the Spin-spin |
| [19] | 杨子元,魏群.三角对称晶场中 4 A2（3d3 ）态离子EPR参量的SS和SOO机制[J].化学物理学报,2004(04):401-406. |
| [20] | 魏群,杨子元.Cr3+：MgAl2O4晶体EPR参量及其电子精细光谱的研究[J].波谱学杂志,2004(01):25-32. |
| [21] | Blume M;Watson R E .Theory of Spin-orbit Coupling in Atoms Ⅱ Comparison of Theory with Experiment[J].Proceedings of the Royal Society of London,1963,271:565. |
| [22] | 余万伦.晶体中过渡金属离子零场分裂参量的微观解释Ⅰ：等效哈密顿理论[J].四川师范大学学报(自然科学版),2002(06):606-614. |
| [23] | 杨子元.三角晶场中4A2（3d3）态离子全组态EPR理论研究[J].化学物理学报,2000(02):190-196. |
| [24] | Yang Z Y .Theoretical Investigation of the Electron Paramagnetic Resonance Parameters and the Crystal Lattice Defects of the Trigonal Symmetry in RbCdF3 :Cr3+[J].Applied Magnetic Resonance,2000,18:455. |
| [25] | Rudowicz C.;Misra SK. .Spin-Hamiltonian formalisms in electron magnetic resonance (EMR) and related spectroscopies [Review][J].Applied Spectroscopy Reviews: An International Journal of Principles, Methods, and Applications,2001(1):11-63. |
| [26] | 杨子元,邰持明,郑俊博.ZnAl2O4：Cr3+晶体4A2基态ZFS及其三角晶格畸变研究[J].波谱学杂志,1999(04):325-330. |
| [27] | Newman D J;Betty Ng .Superposition Model of Crystal Fields[J].Reports on Progress in Physics,1989,52:699. |
| [28] | 杨子元,王俊忠,段绪朝.掺杂晶体Cr3+∶MgAl2O4晶格畸变及基态自旋哈密顿参量的理论研究[J].人工晶体学报,1999(03):239-243. |
| [29] | Yu W L;Zhang X M;Yang L X et al.Spectroscopic Properties Cr3 + Ions at the Defect Sites in Cubic Fluoroperovskite Crystals[J].Physical Review B,1994,50(10):6756. |
| [30] | Zhao MG.;Xie LH. .Ligand field treatment for the electronic levels of Cr2+ ion in II-VI compound of ZnS[J].Materials Science & Engineering, B. Solid-State Materials for Advanced Technology,2000(1):72-77. |
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