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在统一配体场耦合图像的基础上,构造了d4电子组态过渡金属离子在强场图像下包括所有自旋状态的210210维完全能量矩阵.通过对角化完全能量矩阵,研究了Cr2+掺杂ZnS的局域晶格结构和Jahn-Teller能.理论计算结果与实验值符合非常好.同时,还研究了Cr2+掺杂ZnS后体系自旋单态对零场分裂参量的贡献.结果表明:自旋单态对二阶零场分裂参量D的贡献可以忽略,但是对于四阶零场分裂参量a和F的贡献却
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关键词:
- ZnS:Cr2+ /
- 统一配体场耦合 /
- 自旋单态 /
- Jahn-Teller能
Using the unified ligand-field-coupling scheme, the 210210 complete energy matrices including all the spin states for d4 configuration transition metal ions are constructed within a strong field representation. By diagonalizing the complete energy matrices, the local lattice structure and the Jahn-Teller energy of Cr2+ ions doped into ZnS are investigated. It is found that the theoretical results are in good agreement with the experimental data. Moreover, the contribution of the spin singlet to the zero-field splitting (ZFS) parameter of Cr2+ ions doped into ZnS is also investigated. The results indicate that the spin singlet contribution to ZFS parameter D is negligible, but the contribution to ZFS parameters a and F may not be neglected.-
Keywords:
- ZnS:Cr2+ /
- unified ligand-field-coupling /
- spin singlets /
- Jahn-Teller energy
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[34] [35] Li Y, Kuang X Y, Li Z, Li Y, Gao M L 2009 J. Alloys Compd. 484 472
[36] [37] Jiao Z Y, Ma S H, Kuang X Y, Zhang X Z 2009 J. Alloys Compd. 475 40
[38] Zhao M G, Xie L H 2000 Mater. Sci. Eng. B 75 72
[39] [40] [41] Sugar J, Corliss C 1977 J. Phys. Chem. Ref. Data 6 317
[42] [43] Griffith J S 1961 The Theory of Transition Metal Ions (Cambridge: Cambridge University Press)
[44] [45] Van Vleck J H 1932 Phys. Rev. 41 208
[46] Shi Q, Ran Q, Tam W S, Leung J W H, Cheung A S C 2001 Chem. Phys. Lett. 339 154
[47] [48] Kaminska M, Baranowski J M, Uba S M, Vallint J T 1979 J. Phys. C 12 2197
[49] -
[1] Moskalev I S, Fedorov V V, Mirov S B 2009 Opt. Express 17 2048
[2] [3] Yang Y A, Chen O, Angerhofer A, Cao Y C 2008 J. Am. Chem. Soc. 130 15649
[4] Chattopadhyay M, Kumbhakar P, Tiwary C S, Sarkar R, Mitra A K, Chatterjee U 2009 J. Appl. Phys. 105 024313
[5] [6] Vlasenko N A, Oleksenko P F, Denisova Z L, Mukhlyo M O, Veligura L I 2008 Phys. Status Solidi B 245 2550
[7] [8] Qi L,Kuang X Y,Chai R P,Duan M L, Zhang C X 2009 Chin. Phys. B 18 1586
[9] [10] Li Y F, Kuang X Y, Gao M L, Zhao Y R, Wang H Q 2009 Chin. Phys. B 18 2967
[11] [12] Li C G, Kuang X Y, Duan M L, Zhang C X, Chai R P 2010 Chin. Phys. B 19 067103
[13] [14] [15] Vallin J T, Warkins G D 1974 Phys. Rev. B 9 2051
[16] Bevilacqua G, Martinelli L, Vogel E E, Mualin O 2004 Phys. Rev. B 70 075206
[17] [18] Biernacki S W 1978 Phys. Status Solidi B 87 607
[19] [20] [21] Bhattacharyya B D 1975 Phys. Status Solidi B 71 K181
[22] Natadze A L, Ryskin A I 1980 Phys. Status Solidi B 97 175
[23] [24] Goetz G, Zimmermann H, Schulz H J 1993 Z. Phys. B 91 429
[25] [26] [27] Grebe G, Roussos G, Schulz H J 1976 J. Phys. C 9 4511
[28] Zhou Y Y, Rudowicz C 1996 J. Phys. Chem. Solids 57 1191
[29] [30] Li F Z, Li D H, Zhou Y Y 1998 Physica B 252 167
[31] [32] [33] Tan X M, Kuang X Y, Zhou K W, Liu Z J, Qu Y Q 2010 Philos. Mag. 90 1289
[34] [35] Li Y, Kuang X Y, Li Z, Li Y, Gao M L 2009 J. Alloys Compd. 484 472
[36] [37] Jiao Z Y, Ma S H, Kuang X Y, Zhang X Z 2009 J. Alloys Compd. 475 40
[38] Zhao M G, Xie L H 2000 Mater. Sci. Eng. B 75 72
[39] [40] [41] Sugar J, Corliss C 1977 J. Phys. Chem. Ref. Data 6 317
[42] [43] Griffith J S 1961 The Theory of Transition Metal Ions (Cambridge: Cambridge University Press)
[44] [45] Van Vleck J H 1932 Phys. Rev. 41 208
[46] Shi Q, Ran Q, Tam W S, Leung J W H, Cheung A S C 2001 Chem. Phys. Lett. 339 154
[47] [48] Kaminska M, Baranowski J M, Uba S M, Vallint J T 1979 J. Phys. C 12 2197
[49]
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