掺Gd3+钼酸盐AMoO4 (A=Ca, Sr, Ba, Pb)自旋哈密顿参量的理论计算

杨维清; 张胤; 高敏; 林媛; 赵小云

doi:10.7498/aps.62.047102

摘要

采用基于单电子晶体场机制的对角化能量矩阵方法, 计算了Gd3+在钼酸盐AMoO4 (A=Ca, Sr, Ba, Pb)晶体中的自旋哈密顿参量(g因子g//, g⊥和零场分裂b20, b40, b44, b60, b64). 矩阵中的晶体场参量采用重叠模型计算. 计算结果显示, 应用三个合理的可调参量[即重叠模型中的内禀参量A2 (R0), A4 (R0)和A6 (R0)], 计算的七个自旋哈密顿参量与实验结果符合甚好, 表明该方法可用于计算或解释Gd3+在晶体中的自旋哈密顿参量.

关键词:

Abstract

In this paper the spin-Hamiltonian parameters, g factors g//, g⊥ and zero-field splittings b20, b40, b44, b60, b64, for Gd3+ ion in molybdates AMoO4 (A=Ca, Sr, Ba, Pb) are calculated by a diagonalization (of energy matrix) method based on one-electron crystal field mechanism. The crystal field parameters in the matrix are calculated from the superposition model. The results indicate that seven calculated spin-Hamiltonian parameters are in good agreement with the experimental values by using only three reasonable adjustable parameters (i.e., the intrinsic parameters Ak (R0), where k=2, 4, 6, in the superposition model). It is shown that the diagonalization method can be used to calculate and explain the spin-Hamiltonian parameters of Gd3+ ion in crystals. The results are discussed.

Keywords:

作者及机构信息

1.
电子科技大学电子薄膜与集成电路国家重点实验室, 成都 610054;

2.
成都信息工程学院光电技术系, 成都 610225

基金项目: 国家自然科学基金(批准号:11028409,51202023)、中国博士后科学基金(批准号:2012M511917)和成都信息工程学院科研基金(批准号:2012M511917)资助的课题.

Authors and contacts

1.
State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054, China;

2.
Department of Photoelectric Technology, Chengdu University of Information Technology, Chengdu 610225, China

Funds: Project supported by the National Nature Science Foundation of China (Grant Nos. 11028409, 51202023), the China Postdoctoral Science Foundation, China (Grant No. 2012M511917), and the Scientific Research Foundation of Chengdu University of Information Technology, China (Grant No. KYTZ201208).

参考文献

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[22]	Zheng W C, Yang W Q, Liu H G 2011 Phil. Mag. 91 4045
[23]	Yang W Q, Zheng W C 2011 Spectrochim. Acta A 79 1291
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[26]	Nassif V, Carbonio R E 1999 J. Solid State Chem. 146 266
[27]	Buckmaster H A, Shing Y H 1972 Phys. Status Solidi A 12 325
[28]	Gschneidner K A, Eyring J L 1996 Handbook of the Physics and Chemistry of Rare Earths (Vol. 23) (Amsterdam: Elsevier) p155
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[31]	Bravo D, Lepez F J 1993 J. Chem. Phys. 99 4952
[32]	Brito H F, Liu G K 2000 J. Chem. Phys. 112 4334
[33]	Hutchison C A, Judd B R, Pope D F D 1959 Proc. Phys. Soc. B 70 514
[34]	Magnani N, Amoretti G, Baraldi A, Capelletti R 2002 Eur. Phys. J. B 29 79
[35]	Magnani N, Amoretti G, Baraldi A, Capelletti R 2002 Radiat. Eff. Defect. Solids 157 921
[36]	Lide D R 2003 CRC Handbook of Chemistry and Physics (84th) (Boca Raton: CRC Press) pp12-14
[37]	Zheng W C 1995 Physica B 215 255
[38]	Newman D J 1977 Aust. J. Phys. 30 315
[39]	Liu H G, Zheng W C, Feng W L 2008 Phil. Mag. 88 3075
[40]	Yang W Q, Zheng W C 2011 Spectrochim. Acta A 79 1291

施引文献

[1]	Han Y F, Li J Z, Chen Z Q, Lin L, Li B, Wang G F 2009 J. Synth. Cryst. 38 190 (in Chinese) [韩永飞, 李景照, 陈振强, 林浪, 李兵, 王国富 2009 人工晶体学报 38 190]
[2]	Chung J H, Ryu J H, Eun J W, Lee J H, Lee S Y, Heo T H, Chol B G, Shim K B 2012 J. Alloys Comp. 522 30
[3]	Cao X Q, Wei T, Chen Y H, Yin M, Guo C X, Zhang W P 2011 J. Rare Earths 29 1029
[4]	Tang H X, Lü S C 2011 Acta Phys. Sin. 60 037805 (in Chinese) [唐红霞, 吕树臣 2011 60 037805]
[5]	Sun J Y, Cao C, Du H Y 2011 Acta Phys. Sin. 60 127801 (in Chinese) [孙家跃, 曹纯, 杜海燕 2011 60 127801]
[6]	Yang W Q, Liu H G, Liu G K, Lin Y, Gao M, Zhao X Y, Zheng W C, Chen Y, Xu J, Li L Z 2012 Acta Mater. 60 5399
[7]	Gavalli E, Angiuli F, Boutinaud P, Mahiou R 2012 J. Solid State Chem. 185 136
[8]	Trabelsi I, Dammak M, Maalej R, Kammoun M 2011 Physica B 406 315
[9]	Wishwamittar, Puri S P 1974 J. Chem. Phys. 61 3720
[10]	Kurkin I N, Tsvetkov E A 1970 Sov. Phys. Solid State 11 3027
[11]	Rosa J, Asatryan H R, Nikl M 1996 Phys. Status Solidi A 158 573
[12]	Meilman M L, Slovev N V 1965 Sov. Phys. Solid State 7 2512
[13]	Kurkin I N, Stepanov V G 1965 Sov. Phys. Solid State 7 223
[14]	Meilman M L, Samoilovich M I, Potkin L I, Sergeeva N I 1967 Sov. Phys. Solid State 8 1864
[15]	Kurkin T N, Shekun L Y 1965 Sov. Phys. Solid State 6 1560
[16]	Newman D J, Urban W 1975 Adv. Phys. 24 793
[17]	Wybourne B G 1966 Phys. Rev. 148 317
[18]	Newman D J, Ng B 1989 Rep. Prog. Phys. 52 699
[19]	Siu G G, Newman D J 1982 J. Phys. C: Solid State Phys. 15 6753
[20]	Newman D J, Ng Betty 2000 Crystal Field Handbook (Cambridge: Cambridge University Press) p83
[21]	Chen X Y, Luo Z D 1999 Chin. Phys. 8 607
[22]	Zheng W C, Yang W Q, Liu H G 2011 Phil. Mag. 91 4045
[23]	Yang W Q, Zheng W C 2011 Spectrochim. Acta A 79 1291
[24]	Yang W Q, Lin Y, Zheng W C, Zhao X Y 2012 Supercond. Sci. Technol. 25 065011
[25]	Garmen E, Daniels E, King J S 1971 J. Chem. Phys. 55 1093
[26]	Nassif V, Carbonio R E 1999 J. Solid State Chem. 146 266
[27]	Buckmaster H A, Shing Y H 1972 Phys. Status Solidi A 12 325
[28]	Gschneidner K A, Eyring J L 1996 Handbook of the Physics and Chemistry of Rare Earths (Vol. 23) (Amsterdam: Elsevier) p155
[29]	Abragam A, Bleaney B 1970 Electron Paramagnetic Resonance of Transition Ions (London: Oxford University Press) p18, 277
[30]	Zhang S Y 2008 Spectroscopy of Rare Earth Ions (Beijing: Science Press) (in Chinese) [张思远 2008 稀土离子光谱学(北京: 科学出版社)]
[31]	Bravo D, Lepez F J 1993 J. Chem. Phys. 99 4952
[32]	Brito H F, Liu G K 2000 J. Chem. Phys. 112 4334
[33]	Hutchison C A, Judd B R, Pope D F D 1959 Proc. Phys. Soc. B 70 514
[34]	Magnani N, Amoretti G, Baraldi A, Capelletti R 2002 Eur. Phys. J. B 29 79
[35]	Magnani N, Amoretti G, Baraldi A, Capelletti R 2002 Radiat. Eff. Defect. Solids 157 921
[36]	Lide D R 2003 CRC Handbook of Chemistry and Physics (84th) (Boca Raton: CRC Press) pp12-14
[37]	Zheng W C 1995 Physica B 215 255
[38]	Newman D J 1977 Aust. J. Phys. 30 315
[39]	Liu H G, Zheng W C, Feng W L 2008 Phil. Mag. 88 3075
[40]	Yang W Q, Zheng W C 2011 Spectrochim. Acta A 79 1291

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